Tudor Oprea, M.D., Ph.D.
Professor and Chief, Translational Informatics Division, UNM School
| Citation indices | All | Since 2011 |
|---|---|---|
| Citations | 12837 | 6393 |
| h-index | 58 | 43 |
| i10-index | 141 | 114 |
| Title1–263 | Cited by | Year |
|---|---|---|
| TIN-X: Target Importance and Novelty Explorer.
DC Cannon, JJ Yang, SL Mathias, O Ursu, S Mani, A Waller, SC Schürer, …
Bioinformatics (Oxford, England)
|
2017 | |
| Protein biomarker druggability profiling
S Mani, D Cannon, R Ohls, T Oprea, S Mathias, K Ballard, O Ursu, …
Journal of Biomedical Informatics 66, 241-247
|
2017 | |
| Drug Target Ontology to Classify and Integrate Drug Discovery Data
Y Lin, S Mehta, HK McGinty, JP Turner, D Vidovic, M Forlin, A Koleti, …
bioRxiv, 117564
|
2017 | |
| A comprehensive Map of molecular drug targets
R Santos, O Ursu, A Gaulton, AP Bento, RS Donadi, CG Bologa, …
Nature Reviews Drug Discovery 16 (1), 19-34
|
8 | 2017 |
| Estimation of Maximum Recommended Therapeutic Dose Using Predicted Promiscuity and Potency
T Liu, T Oprea, O Ursu, C Hasselgren, RB Altman
Clinical and Translational Science 9 (6), 311-320
|
2016 | |
| Badapple: promiscuity patterns from noisy evidence
JJ Yang, O Ursu, CA Lipinski, LA Sklar, TI Oprea, CG Bologa
Journal of cheminformatics 8 (1), 1-14
|
3 | 2016 |
| Pharos: Collating protein information to shed light on the druggable genome
DT Nguyen, S Mathias, C Bologa, S Brunak, N Fernandez, A Gaulton, …
Nucleic acids research, gkw1072
|
2 | 2016 |
| Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records
R Vazquez Guillamet, O Ursu, G Iwamoto, PL Moseley, T Oprea
Health Informatics Journal, 1460458216675661
|
2016 | |
| DrugCentral: online drug compendium
O Ursu, J Holmes, J Knockel, CG Bologa, JJ Yang, SL Mathias, SJ Nelson, …
Nucleic Acids Research, gkw993
|
4 | 2016 |
| A pepducin designed to modulate P2Y 2 R function interacts with FPR2 in human neutrophils and transfers ATP to an NADPH-oxidase-activating ligand through a receptor cross-talk mechanism
M Gabl, A Holdfeldt, M Winther, T Oprea, J Bylund, C Dahlgren, …
Biochimica et Biophysica Acta (BBA)-Molecular Cell Research 1863 (6), 1228-1237
|
5 | 2016 |
| BDDCS, the rule of 5 and drugability
LZ Benet, CM Hosey, O Ursu, TI Oprea
Advanced drug delivery reviews 101, 89-98
|
5 | 2016 |
| Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes
G Zahoránszky-Kőhalmi, CG Bologa, TI Oprea
Journal of cheminformatics 8 (1), 16
|
1 | 2016 |
| Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)
YC Martin, R Abagyan, GG Ferenczy, VJ Gillet, TI Oprea, J Ulander, …
Pure and Applied Chemistry 88 (3), 239-264
|
1 | 2016 |
| Discovery of a specific inhibitor of human GLUT5 by virtual screening and in vitro transport evaluation
AMG Thompson, O Ursu, P Babkin, CV Iancu, A Whang, TI Oprea, J Choe
Scientific reports 6
|
4 | 2016 |
| ChemProt-3.0: a global chemical biology diseases mapping
J Kringelum, SK Kjaerulff, S Brunak, O Lund, TI Oprea, O Taboureau
Database 2016, bav123
|
3 | 2016 |
| A novel pharmacologic activity of ketorolac for therapeutic benefit in ovarian cancer patients
Y Guo, SR Kenney, L Cook, SF Adams, T Rutledge, E Romero, TI Oprea, …
Clinical Cancer Research 21 (22), 5064-5072
|
7 | 2015 |
| Novel activities of select NSAID R-enantiomers against Rac1 and Cdc42 GTPases
TI Oprea, LA Sklar, JO Agola, Y Guo, M Silberberg, J Roxby, A Vestling, …
PloS one 10 (11), e0142182
|
4 | 2015 |
| Modulators of GTPases and their use
AW Ness, L Hudson, L Sklar, Z Surviladze, T Oprea, , T Oprea
US Patent 9,125,899
|
2015 | |
| P2Y 2 receptor signaling in neutrophils is regulated from inside by a novel cytoskeleton-dependent mechanism
M Gabl, M Winther, A Welin, A Karlsson, T Oprea, J Bylund, C Dahlgren, …
Experimental cell research 336 (2), 242-252
|
4 | 2015 |
| R-ketorolac targets Cdc42 and Rac1 GTPases and alters ovarian tumor cell behaviors critical for invasion and metastasis
Y Guo, SR Kenney, LA Sklar, T Buranda, TI Oprea, O Ursu, SF Adams, …
Cancer Research 75 (15 Supplement), 4044-4044
|
1 | 2015 |
| Modulators of GTPases and Their Use
A Wandinger-Ness, L Hudson, L Sklar, Z Surviladze, T Oprea, , T Oprea
US Patent App. 14/813,874
|
2015 | |
| Advancing biological understanding and therapeutics discovery with small-molecule probes
SL Schreiber, JD Kotz, M Li, J Aubé, CP Austin, JC Reed, H Rosen, …
Cell 161 (6), 1252-1265
|
34 | 2015 |
| Clustering Chronic Obstructive Pulmonary Disease Subjects Using Administrative Data
R Vazquez Guillamet, O Ursu, T Oprea, P Moseley, G Iwamoto
B36. COME TOGETHER: COPD PHENOTYPES, A2847-A2847
|
2015 | |
| Ligand‐Directed Profiling of Organelles with Internalizing Phage Libraries
AS Dobroff, R Rangel, L Guzman‐Roja, CC Salmeron, JG Gelovani, …
Current Protocols in Protein Science, 30.4. 1-30.4. 30
|
2015 | |
| Ligand-directed targeting of lymphatic vessels uncovers mechanistic insights in melanoma metastasis
DR Christianson, AS Dobroff, B Proneth, AJ Zurita, A Salameh, …
Proceedings of the National Academy of Sciences 112 (8), 2521-2526
|
9 | 2015 |
| CHEMICAL AND BIOLOGICAL DESCRIPTOR INTEGRATION IMPROVES COMPUTATIONAL MODELING OF IN VIVO RAT TOXICITY
CG Bologa, U Oleg, L Halip, R CURPĂN, TI Oprea
Revue roumaine du chimie 60 (2-3), 219
|
2015 | |
| Clustering Chronic Obstructive Pulmonary Disease Subjects Using Administrative Data
RV Guillamet, O Ursu, T Oprea, P Moseley, G Iwamoto
AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE 191
|
2015 | |
| Computational and Practical Aspects of Drug Repositioning
TI Oprea, JP Overington
Drug Repurposing, Rescue, and Repositioning 1 (1)
|
7 | 2015 |
| Defining the microbial effluxome in the content of the host-microbiome interaction
A Ioannidis, M Magana, CG Bologa, TI Oprea, IT Paulsen, GP Tegos
Frontiers in pharmacology 6
|
2015 | |
| FRET detection of lymphocyte function–associated antigen-1 conformational extension
A Chigaev, Y Smagley, MK Haynes, O Ursu, CG Bologa, L Halip, T Oprea, …
Molecular biology of the cell 26 (1), 43-54
|
2 | 2015 |
| CFP-10 from Mycobacterium tuberculosis selectively activates human neutrophils through a pertussis toxin-sensitive chemotactic receptor
A Welin, H Björnsdottir, M Winther, K Christenson, T Oprea, A Karlsson, …
Infection and immunity 83 (1), 205-213
|
8 | 2015 |
| An automated high-throughput cell-based multiplexed flow cytometry assay to identify novel compounds to target Candida albicans virulence-related proteins
SM Bernardo, CP Allen, A Waller, SM Young, T Oprea, LA Sklar, SA Lee
PloS one 9 (10), e110354
|
3 | 2014 |
| Novel bifunctional metnase/intnase inhibitors and related compositions and methods of treatment of cancer
R Hromas, A Leitao, TI Oprea, LA Sklar, EA Williamson, J Wray, W Wang, …
US Patent App. 14/510,476
|
2014 | |
| Methods and related compositions for the treatment of cancer
TA Thompson, D Mackenzie, TI Oprea, LA Sklar, BS Edwards, M Haynes, …
US Patent 8,835,506
|
2 | 2014 |
| Temporal disease trajectories condensed from population-wide registry data covering 6.2 million patients
AB Jensen, PL Moseley, TI Oprea, SG Ellesøe, R Eriksson, H Schmock, …
Nature communications 5
|
52 | 2014 |
| An overview of the challenges in designing, integrating, and delivering BARD: a public chemical-biology resource and query portal for multiple organizations, locations, and disciplines
A De Souza, JA Bittker, DL Lahr, S Brudz, S Chatwin, TI Oprea, A Waller, …
Journal of biomolecular screening 19 (5), 614-627
|
18 | 2014 |
| Antibacterial activity of pepducins, allosterical modulators of formyl peptide receptor signaling
M Winther, M Gabl, TI Oprea, B Jönsson, F Boulay, J Bylund, C Dahlgren, …
Antimicrobial agents and chemotherapy 58 (5), 2985-2988
|
6 | 2014 |
| A novel receptor cross-talk between the ATP receptor P2Y 2 and formyl peptide receptors reactivates desensitized neutrophils to produce superoxide
K Önnheim, K Christenson, M Gabl, JC Burbiel, CE Müller, TI Oprea, …
Experimental cell research 323 (1), 209-217
|
13 | 2014 |
| The University of New Mexico Center for Molecular Discovery
B S Edwards, K Gouveia, T I Oprea, L A Sklar
Combinatorial chemistry & high throughput screening 17 (3), 256-265
|
3 | 2014 |
| A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growth
EE May, A Leitão, A Tropsha, TI Oprea
Computational biology and chemistry 47, 167-180
|
6 | 2013 |
| Emerging trends in the discovery of natural product antibacterials
CG Bologa, O Ursu, TI Oprea, CE Melançon, GP Tegos
Current opinion in pharmacology 13 (5), 678-687
|
25 | 2013 |
| Abstract B81: Selected NSAIDs target GTPases for ovarian cancer therapy
Y Guo, SR Kenney, E Romero, T Oprea, S Adams, C Muller, L Sklar, …
Clinical Cancer Research 19 (19 Supplement), B81-B81
|
2 | 2013 |
| The leukocyte chemotactic receptor FPR2, but not the closely related FPR1, is sensitive to cell-penetrating pepducins with amino acid sequences descending from the third intracellular receptor loop
H Forsman, J Bylund, TI Oprea, A Karlsson, F Boulay, MJ Rabiet, …
Biochimica et Biophysica Acta (BBA)-Molecular Cell Research 1833 (8), 1914-1923
|
23 | 2013 |
| Fluorescent substrates for flow cytometric evaluation of efflux inhibition in ABCB1, ABCC1, and ABCG2 transporters
JJ Strouse, I Ivnitski-Steele, A Waller, SM Young, D Perez, AM Evangelisti, …
Analytical biochemistry 437 (1), 77-87
|
19 | 2013 |
| Modulators of GTPase and Use In Relevant Treatment
A Wandinger-Ness, L Sklar, Z Surviladze, T Oprea, L Hudson, J Aube, …
US Patent App. 13/867,658
|
1 | 2013 |
| Characterization of a Cdc42 protein inhibitor and its use as a molecular probe
L Hong, SR Kenney, GK Phillips, D Simpson, CE Schroeder, J Nöth, …
Journal of Biological Chemistry 288 (12), 8531-8543
|
44 | 2013 |
| Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico/in vitro work flow
I Kouskoumvekaki, RK Petersen, F Fratev, O Taboureau, TE Nielsen, …
Journal of chemical information and modeling 53 (4), 923-937
|
17 | 2013 |
| Bradycardic effects mediated by activation of G protein‐coupled estrogen receptor in rat nucleus ambiguus
GC Brailoiu, JB Arterburn, TI Oprea, VC Chitravanshi, E Brailoiu
Experimental physiology 98 (3), 679-691
|
13 | 2013 |
| Selective Bcl-2 Inhibitor Probes
J Zou, R Ardecky, AB Pinkerton, E Sergienko, Y Su, D Stonich, RF Curpan, …
National Center for Biotechnology Information (US)
|
1 | 2013 |
| Profiling a Selective Probe for RTG Branch of Yeast TORC1 Signaling Pathway
J Chen, SM Young, C Allen, A Waller, O Ursu, JJ Strouse, T Yao, …
National Center for Biotechnology Information (US)
|
2 | 2013 |
| Selective efflux inhibition of ATP-binding cassette sub-family G member 2
JJ Strouse, I Ivnitski-Steele, HM Njus, TD Foutz, T Yao, WS Weiner, …
National Center for Biotechnology Information (US)
|
4 | 2013 |
| A chemogenomic analysis of ionization constants—implications for drug discovery
DT Manallack, RJ Prankerd, GC Nassta, O Ursu, TI Oprea, DK Chalmers
ChemMedChem 8 (2), 242-255
|
9 | 2013 |
| A selective ATP-binding cassette subfamily G member 2 efflux inhibitor revealed via high-throughput flow cytometry
JJ Strouse, I Ivnitski-Steele, HM Khawaja, D Perez, J Ricci, T Yao, …
Journal of biomolecular screening 18 (1), 26-38
|
10 | 2013 |
| UNM Division of Biocomputing public web applications: Computational tools for cheminformatics and molecular discovery
TI Oprea, C Bologa, S Mathias, J Abear, O Ursu, G Zahoransky-Kohalmi, …
|
2013 | |
| The CARLSBAD database: a confederated database of chemical bioactivities
SL Mathias, J Hines-Kay, JJ Yang, G Zahoransky-Kohalmi, CG Bologa, …
Database 2013, bat044
|
9 | 2013 |
| The significance of acid/base properties in drug discovery
DT Manallack, RJ Prankerd, E Yuriev, TI Oprea, DK Chalmers
Chemical Society Reviews 42 (2), 485-496
|
37 | 2013 |
| ChemProt-2.0: visual navigation in a disease chemical biology database
SK Kjærulff, L Wich, J Kringelum, UP Jacobsen, I Kouskoumvekaki, …
Nucleic acids research 41 (D1), D464-D469
|
43 | 2013 |
| Targeting the transposase domain of the DNA repair component Metnase to enhance chemotherapy
EA Williamson, L Damiani, A Leitao, C Hu, H Hathaway, T Oprea, L Sklar, …
Cancer research 72 (23), 6200-6208
|
23 | 2012 |
| Drug repurposing: far beyond new targets for old drugs
TI Oprea, J Mestres
The AAPS journal 14 (4), 759-763
|
58 | 2012 |
| Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design
C Custodi, R Nuti, TI Oprea, A Macchiarulo
Journal of Molecular Graphics and Modelling 38, 70-81
|
5 | 2012 |
| Mechanisms of G protein-coupled estrogen receptor-mediated spinal nociception
E Deliu, GC Brailoiu, JB Arterburn, TI Oprea, K Benamar, NJ Dun, …
The Journal of Pain 13 (8), 742-754
|
18 | 2012 |
| A novel flow cytometric HTS assay reveals functional modulators of ATP binding cassette transporter ABCB6
K Polireddy, MMT Khan, H Chavan, S Young, X Ma, A Waller, M Garcia, …
PloS one 7 (7), e40005
|
10 | 2012 |
| A non-peptide receptor inhibitor with selectivity for one of the neutrophil formyl peptide receptors, FPR 1
H Çevik-Aras, C Kalderén, AJ Jensen, T Oprea, C Dahlgren, H Forsman
Biochemical pharmacology 83 (12), 1655-1662
|
16 | 2012 |
| A competitive nucleotide binding inhibitor: in vitro characterization of Rab7 GTPase inhibition
JO Agola, L Hong, Z Surviladze, O Ursu, A Waller, JJ Strouse, …
ACS chemical biology 7 (6), 1095
|
38 | 2012 |
| A pilot study of raltegravir and cisplatin in head and neck squamous cell carcinoma (HNSCC).
JE Bauman, GT Olson, M Spafford, M Nuara, S Sampath, SJ Lee, …
Journal of Clinical Oncology 30 (15_suppl), TPS5602-TPS5602
|
2012 | |
| Selective inhibition of Rac1 and Cdc42 in ovarian cancer using the R-enantiomer of ketorolac
SR Kenney, T Oprea, O Ursu, L Sklar, L Lomo, C Muller, Y Gao, …
Cancer Research 72 (8 Supplement), 910-910
|
1 | 2012 |
| BDDCS class prediction for new molecular entities
F Broccatelli, G Cruciani, LZ Benet, TI Oprea
Molecular pharmaceutics 9 (3), 570
|
53 | 2012 |
| System chemical biology studies of endocrine disruptors
O Taboureau, TI Oprea
|
2012 | |
| Specific Cell-Permeant Cdc42 Inhibitor Prevents GTPase Activation and Cellular Functions
A Wandinger-Ness, L Hong, SR Kenney, GK Phillips, D Simpson, …
MOLECULAR BIOLOGY OF THE CELL 23
|
2012 | |
| Compound collection preparation for virtual screening
CG Bologa, TI Oprea
Bioinformatics and Drug Discovery, 125-143
|
4 | 2012 |
| Of possible cheminformatics futures
TI Oprea, O Taboureau, CG Bologa
Journal of computer-aided molecular design 26 (1), 107-112
|
8 | 2012 |
| Improving the prediction of the brain disposition for orally administered drugs using BDDCS
F Broccatelli, CA Larregieu, G Cruciani, TI Oprea, LZ Benet
Advanced Drug Delivery Reviews 64 (1), 95–109
|
41 | 2011 |
| BDDCS applied to over 900 drugs
LZ Benet, F Broccatelli, TI Oprea
The AAPS journal 13 (4), 519-547
|
255 | 2011 |
| Identification of a GPER/GPR30 antagonist with improved estrogen receptor counterselectivity
MK Dennis, AS Field, R Burai, C Ramesh, WK Petrie, CG Bologa, …
The Journal of steroid biochemistry and molecular biology 127 (3), 358-366
|
129 | 2011 |
| Drug repurposing from an academic perspective
TI Oprea, JE Bauman, CG Bologa, T Buranda, A Chigaev, BS Edwards, …
Drug Discovery Today: Therapeutic Strategies 8 (3-4), 61-69
|
83 | 2011 |
| Drug-like physicochemical properties
PD Leeson, TI Oprea
Drug Design Strategies, 35-59
|
8 | 2011 |
| G protein-coupled estrogen receptor 1-mediated effects in the rat myometrium
AA Tica, EC Dun, OS Tica, X Gao, JB Arterburn, GC Brailoiu, TI Oprea, …
American Journal of Physiology-Cell Physiology 301 (5), C1262-C1269
|
27 | 2011 |
| Linking Pharmacology to Clinical Reports: Cyclobenzaprine and Its Possible Association With Serotonin Syndrome
J Mestres, SA Seifert, TI Oprea
Clinical Pharmacology & Therapeutics 90, 662-665
|
33 | 2011 |
| High-throughput screen for the chemical inhibitors of antiapoptotic bcl-2 family proteins by multiplex flow cytometry
RF Curpan, PC Simons, D Zhai, SM Young, MB Carter, CG Bologa, …
Assay and drug development technologies 9 (5), 465-474
|
15 | 2011 |
| Understanding drug‐likeness
O Ursu, A Rayan, A Goldblum, TI Oprea
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (5), 760-781
|
62 | 2011 |
| Intracellular cannabinoid type 1 (CB1) receptors are activated by anandamide
GC Brailoiu, TI Oprea, P Zhao, ME Abood, E Brailoiu
Journal of Biological Chemistry 286 (33), 29166-29174
|
52 | 2011 |
| Cross-pharmacology analysis of G protein-coupled receptors
F Briansó, M C Carrascosa, T I Oprea, J Mestres
Current topics in medicinal chemistry 11 (15), 1956-1963
|
26 | 2011 |
| Microbial efflux pump inhibition: tactics and strategies
G P Tegos, M Haynes, J Jacob Strouse, M Md T Khan, C G Bologa, …
Current pharmaceutical design 17 (13), 1291-1302
|
50 | 2011 |
| Abstract LB-214: Rac1 and Cdc42 GTPases as novel targets in ovarian cancer
A Wandinger-Ness, SR Kenney, J Agola, J Roxby, Z Surviladze, …
Cancer Research 71 (8 Supplement), LB-214-LB-214
|
2011 | |
| Models of the algistatic activity of 5-amino-1-aryl-1H-tetrazoles
M Mracec, TI Oprea, M Mracec
Rev Roum Chim 56 (4), 373-379
|
2 | 2011 |
| A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields
F Broccatelli, E Carosati, A Neri, M Frosini, L Goracci, TI Oprea, …
Journal of medicinal chemistry 54 (6), 1740
|
78 | 2011 |
| Associating Drugs, Targets and Clinical Outcomes into an Integrated Network Affords a New Platform for Computer‐Aided Drug Repurposing
TI Oprea, SK Nielsen, O Ursu, JJ Yang, O Taboureau, SL Mathias, …
Molecular informatics 30 (2‐3), 100-111
|
67 | 2011 |
| Next‐generation QSAR
TI Oprea
Molecular Informatics 30 (2‐3), 89-89
|
1 | 2011 |
| Compounds for binding to ERα/β and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof
ER Prossnitz, SE Tkatchenko, CM Revankar, LA Sklar, JB Arterburn, …
US Patent 7,875,721
|
1 | 2011 |
| Enantiomer specific inhibition of Rac1 and Cdc42 in ovarian cancer
SR Kenney, J Roxby, E Romero, O Ursu, T Oprea, L Sklar, …
MOLECULAR BIOLOGY OF THE CELL 22
|
1 | 2011 |
| Cheminformatics-Basics: Molecular Descriptors and Fingerprints
DC Fara, TI Oprea
|
1 | 2011 |
| Computational systems chemical biology
TI Oprea, EE May, A Leitão, A Tropsha
Chemoinformatics and Computational Chemical Biology, 459-488
|
18 | 2011 |
| ChemProt: a disease chemical biology database
O Taboureau, SK Nielsen, K Audouze, N Weinhold, D Edsgärd, FS Roque, …
Nucleic acids research 39 (suppl 1), D367-D372
|
54 | 2011 |
| Small molecule inhibitors of hantavirus infection
PR Hall, A Leitão, C Ye, K Kilpatrick, B Hjelle, TI Oprea, RS Larson
Bioorganic & medicinal chemistry letters 20 (23), 7085-7091
|
12 | 2010 |
| Three small molecule pan activator families of Ras-related GTPases
Z Surviladze, O Ursu, F Miscioscia, R Curpan, L Halip, C Bologa, T Oprea, …
National Center for Biotechnology Information (US)
|
7 | 2010 |
| Model-free drug-likeness from fragments
O Ursu, TI Oprea
Journal of chemical information and modeling 50 (8), 1387-1394
|
15 | 2010 |
| Modulation of bitter taste perception by a small molecule hTAS2R antagonist
JP Slack, A Brockhoff, C Batram, S Menzel, C Sonnabend, S Born, …
Current Biology 20 (12), 1104-1109
|
90 | 2010 |
| Novel derivatives of 1, 3, 4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays
AS Kiselyov, MN Semenova, NB Chernyshova, A Leitao, AV Samet, …
European journal of medicinal chemistry 45 (5), 1683-1697
|
62 | 2010 |
| A Scaffold‐Tree‐Merging Strategy for Prospective Bioactivity Annotation of γ‐Pyrones
S Wetzel, W Wilk, S Chammaa, B Sperl, AG Roth, A Yektaoglu, S Renner, …
Angewandte Chemie International Edition 49 (21), 3666-3670
|
31 | 2010 |
| iPHACE: integrative navigation in pharmacological space
R Garcia-Serna, O Ursu, TI Oprea, J Mestres
Bioinformatics 26 (7), 985-986
|
22 | 2010 |
| Metnase and intnase inhibitors and their use in treating cancer
R Hromas, A Leitao, TI Oprea, LA Sklar, EA Williamson, J Wray, , J Wray, …
US Patent App. 13/255,708
|
2010 | |
| Highly Efficient Synthesis and Characterization of the GPR30‐Selective Agonist G‐1 and Related Tetrahydroquinoline Analogues.
R Burai, C Ramesh, M Shorty, R Curpan, C Bologa, LA Sklar, T Oprea, …
Organic & biomolecular chemistry 8 (9), 2252-2259
|
27 | 2010 |
| High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors
MJ Saunders, SW Graves, LA Sklar, TI Oprea, BS Edwards
Assay and drug development technologies 8 (1), 37-46
|
21 | 2010 |
| The G protein–coupled receptor GPR30 inhibits proliferation of estrogen receptor–positive breast cancer cells
EA Ariazi, E Brailoiu, S Yerrum, HA Shupp, MJ Slifker, HE Cunliffe, …
Cancer research 70 (3), 1184-1194
|
161 | 2010 |
| Transporter‐Mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target
F Broccatelli, E Carosati, G Cruciani, TI Oprea
Molecular informatics 29 (1‐2), 16-26
|
26 | 2010 |
| Highly efficient synthesis and characterization of the GPR30-selective agonist G-1 and related tetrahydroquinoline analogs
M Shorty, C Bologa, J B Arterburn, C Ramesh, L A Sklar, E R Prossnitz, …
The Royal Society of Chemistry
|
2010 | |
| Databases for chemical and biological information
TI Oprea, L Ostopovici‐Halip, R Rad‐curpan
Pharmaceutical Data Mining: Approaches and Applications for Drug Discovery …
|
2 | 2010 |
| High‐Throughput Flow Cytometry
LA Sklar, PC Simons, A Waller, SM Biggs, SM Young, M Olah, C Bologa, …
Pharmaceutical Sciences Encyclopedia
|
1 | 2010 |
| Conformational mAb as a tool for integrin ligand discovery
BH Njus, A Chigaev, A Waller, D Wlodek, L Ostopovici-Halip, O Ursu, …
Assay and drug development technologies 7 (5), 507-515
|
16 | 2009 |
| Estrogen rapidly modulates 5-hydroxytrytophan-induced visceral hypersensitivity via GPR30 in rats
CL Lu, JC Hsieh, NJ Dun, TI Oprea, PS Wang, JC Luo, HC Lin, FY Chang, …
Gastroenterology 137 (3), 1040-1050
|
37 | 2009 |
| Corrigendum: Chromatin-level regulation of biosynthetic gene clusters
JW Bok, YM Chiang, E Szewczyk, Y Reyes-Dominguez, AD Davidson, …
Nature Chemical Biology 5 (9), 696
|
2009 | |
| Corrigendum: Interactive exploration of chemical space with Scaffold Hunter
S Wetzel, K Klein, S Renner, D Rauh, TI Oprea, P Mutzel, H Waldmann
Nature Chemical Biology 5 (9), 696
|
5 | 2009 |
| A crowdsourcing evaluation of the NIH chemical probes (vol 5, pg 441, 2009)
TI Oprea, CG Bologa, S Boyer, RF Curpan, RC Glen, AL Hopkins, …
NATURE CHEMICAL BIOLOGY 5 (8), 600-600
|
2009 | |
| Erratum: A crowdsourcing evaluation of the NIH chemical probes
TI Oprea, CG Bologa, S Boyer, RF Curpan, RC Glen, AL Hopkins, …
Nature Chemical Biology 5 (8), 600
|
2009 | |
| Bioactivity-guided mapping and navigation of chemical space
S Renner, WAL Van Otterlo, MD Seoane, S Möcklinghoff, B Hofmann, …
Nature chemical biology 5 (8), 585-592
|
94 | 2009 |
| Interactive exploration of chemical space with Scaffold Hunter
S Wetzel, K Klein, S Renner, D Rauh, TI Oprea, P Mutzel, H Waldmann
Nature chemical biology 5 (8), 581-583
|
150 | 2009 |
| A crowdsourcing evaluation of the NIH chemical probes
TI Oprea, CG Bologa, S Boyer, RF Curpan, RC Glen, AL Hopkins, …
Nature chemical biology 5 (7), 441-447
|
89 | 2009 |
| Detection of intracellular granularity induction in prostate cancer cell lines by small molecules using the HyperCyt® high-throughput flow cytometry system
MK Haynes, JJ Strouse, A Waller, A Leitao, RF Curpan, C Bologa, …
Journal of biomolecular screening 14 (6), 596-609
|
17 | 2009 |
| In vivo effects of a GPR30 antagonist
MK Dennis, R Burai, C Ramesh, WK Petrie, SN Alcon, TK Nayak, …
Nature chemical biology 5 (6), 421-427
|
321 | 2009 |
| Expression of estrogen receptor GPR30 in the rat spinal cord and in autonomic and sensory ganglia
SL Dun, GC Brailoiu, X Gao, E Brailoiu, JB Arterburn, ER Prossnitz, …
Journal of neuroscience research 87 (7), 1610-1619
|
62 | 2009 |
| High-throughput screening of small molecule inducers of autophagy as potential therapies for prostate cancer
D MacKenzie, M Haynes, CA Hu, L Skalr, T Oprea, C Bologa, …
CANCER RESEARCH 69
|
2 | 2009 |
| Abstract# 5505: High-throughput screening of small molecule inducers of autophagy as potential therapies for prostate cancer
D MacKenzie, M Haynes, CA Hu, L Sklar, T Oprea, C Bologa, …
Cancer Research 69 (9 Supplement), 5505-5505
|
2009 | |
| Novel chemical space exploration via natural products
J Rosén, J Gottfries, S Muresan, A Backlund, TI Oprea
Journal of medicinal chemistry 52 (7), 1953
|
158 | 2009 |
| Cytochrome P450s in DrugMetabolism and Disease
TI Oprea
|
2009 | |
| Duplex high‐throughput flow cytometry screen identifies two novel formylpeptide receptor family probes
SM Young, CM Bologa, D Fara, BK Bryant, JJ Strouse, JB Arterburn, …
Cytometry Part A 75 (3), 253-263
|
30 | 2009 |
| Vascular responses mediated by GPR30/GPER
E Brailoiu, AA Tica, CG Brailoiu, JB Arterburn, M Barton, ER Prossnitz, …
Proceedings of The Physiological Society
|
2009 | |
| Discovery of Selective Probes and Antagonists for G Protein-Coupled Receptors FPR/FPRL1 and GPR30
JB Arterburn, TI Oprea, ER Prossnitz, BS Edwards, LA Sklar
Current topics in medicinal chemistry 9 (13), 1227–1236
|
21 | 2009 |
| Compounds and methods for the selective inhibition of ABCB1, ABCC1 and ABCG2 transporters and the treatment of cancers, especially drug resistant cancers and high throughput flow cytometry assay to detect selective inhibitors
RS Larson, LA Sklar, BS Edwards, ID Ivnitski-Steele, TI Oprea, DM Lovato, …
US Patent App. 12/315,132
|
1 | 2008 |
| Systems chemical biology studies of enzymatic metabolic networks and inhibitors.
E May, M Misra, JL Faulon, A Leitao, TI Oprea
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
|
2008 | |
| Molecular similarity analysis in virtual screening
L Peltason, J Bajorath
Chemoinformatics Approaches to Virtual Screening, 120-149
|
10* | 2008 |
| Understanding virulence mechanisms in M. tuberculosis infection via a circuit-based simulation framework
E May, A Leitao, JL Faulon, J Joo, M Misra, TI Oprea
Engineering in Medicine and Biology Society, 2008. EMBS 2008. 30th Annual …
|
5 | 2008 |
| Efficient calculation of molecular properties from simulation using kernel molecular dynamics
WM Brown, A Sasson, DR Bellew, LA Hunsaker, S Martin, A Leitao, …
Journal of chemical information and modeling 48 (8), 1626-1637
|
5 | 2008 |
| Is there a general model for bioactivity? An overview of the MLSMR-MLSCN bioassays
TI Oprea
JOURNAL OF BIOMOLECULAR SCREENING 13 (7), 713-714
|
2008 | |
| QSAR modeling of the blood–brain barrier permeability for diverse organic compounds
L Zhang, H Zhu, TI Oprea, A Golbraikh, A Tropsha
Pharmaceutical research 25 (8), 1902
|
115 | 2008 |
| Quantifying the Relationships among Drug Classes.
J Hert, MJ Keiser, JJ Irwin, TI Oprea, BK Shoichet
Journal of chemical information and modeling 48 (4), 755–765
|
135 | 2008 |
| Scaffold topologies I: exhaustive enumeration up to 8 rings
SN Pollock, EA Coutsias, MJ Wester, TI Oprea
Journal of chemical information and modeling 48 (7), 1304
|
26 | 2008 |
| Scaffold Topologies II: Analysis of Chemical Databases
MJ Wester, S Pollock, EA Coutsias, TK Allu, S Muresan, TI Oprea
Journal of chemical information and modeling 48 (7), 1311
|
36 | 2008 |
| The ins and outs of GPR30: a transmembrane estrogen receptor
ER Prossnitz, TI Oprea, LA Sklar, JB Arterburn
The Journal of steroid biochemistry and molecular biology 109 (3), 350-353
|
148 | 2008 |
| High-throughput flow cytometry to detect selective inhibitors of ABCB1, ABCC1, and ABCG2 transporters
I Ivnitski-Steele, RS Larson, DM Lovato, HM Khawaja, SS Winter, TI Oprea, …
Assay and drug development technologies 6 (2), 263-276
|
43 | 2008 |
| GPR30: a novel therapeutic target in estrogen-related disease
ER Prossnitz, LA Sklar, TI Oprea, JB Arterburn
Trends in pharmacological sciences 29 (3), 116-123
|
111 | 2008 |
| Estrogen signaling through the transmembrane G protein–coupled receptor GPR30
ER Prossnitz, JB Arterburn, HO Smith, TI Oprea, LA Sklar, HJ Hathaway
Annu. Rev. Physiol. 70, 165-190
|
468 | 2008 |
| High-throughput screening for daunorubicin-mediated drug resistance identifies mometasone furoate as a novel ABCB1-reversal agent
SS Winter, DM Lovato, HM Khawaja, BS Edwards, ID Steele, SM Young, …
Journal of biomolecular screening 13 (3), 185-193
|
30 | 2008 |
| Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?
AC Good, TI Oprea
Journal of computer-aided molecular design 22 (3-4), 169-178
|
142 | 2008 |
| hERG classification model based on a combination of support vector machine method and GRIND descriptors
Q Li, FS Jørgensen, T Oprea, S Brunak, O Taboureau
Molecular pharmaceutics 5 (1), 117-127
|
78 | 2008 |
| 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L
RF Freitas, TI Oprea, CA Montanari
Bioorganic & medicinal chemistry 16 (2), 838-853
|
28 | 2008 |
| WOMBAT and WOMBAT‐PK: bioactivity databases for lead and drug discovery
M Olah, R Rad, L Ostopovici, A Bora, N Hadaruga, D Hadaruga, …
Chemical Biology: From Small Molecules to Systems Biology and Drug Design …
|
78 | 2008 |
| Sense and nonsense in drug discovery: a chemical perspective
TI Oprea
Towards Drugs of the Future: Key Issues in Lead Finding and Lead …
|
2* | 2008 |
| Exemestane’s 17-hydroxylated metabolite exerts biological effects as an androgen
EA Ariazi, A Leitao, TI Oprea, B Chen, T Louis, AM Bertucci, CGN Sharma, …
Molecular cancer therapeutics 6 (11), 2817-2827
|
44 | 2007 |
| Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios
DP Hristozov, TI Oprea, J Gasteiger
Journal of computer-aided molecular design 21 (10-11), 617-640
|
40 | 2007 |
| Ligand‐Based Virtual Screening by Novelty Detection with Self‐Organizing Maps.
D Hristozov, TI Oprea, J Gasteiger
Journal of chemical information and modeling 47 (6), 2044–2062
|
22 | 2007 |
| The privileged structures hypothesis for G protein-coupled receptors-some preliminary results
R RAD, M Mracec, M Mraceca, T Oprea
REVUE ROUMAINE DE CHIMIE 52 (8-9), 853-+
|
3 | 2007 |
| Systems chemical biology
TI Oprea, A Tropsha, JL Faulon, MD Rintoul
Nature chemical biology 3 (8), 447-450
|
129 | 2007 |
| Activation of dioxin response element (DRE)-associated genes by benzo (a) pyrene 3, 6-quinone and benzo (a) pyrene 1, 6-quinone in MCF-10A human mammary epithelial cells
SW Burchiel, TA Thompson, FT Lauer, TI Oprea
Toxicology and applied pharmacology 221 (2), 203-214
|
46 | 2007 |
| High-throughput flow cytometry for drug discovery
BS Edwards, SM Young, MJ Saunders, C Bologa, TI Oprea, RD Ye, …
Expert opinion on drug discovery 2 (5), 685-696
|
26 | 2007 |
| In vitro differentiation of human mesenchymal stem cells to epithelial lineage
V Păunescu, E Deak, D Herman, IR Siska, C Bunu, S Anghel, CA Tatu, …
Journal of cellular and molecular medicine 11 (3), 502-508
|
127 | 2007 |
| Distribution and characterization of estrogen receptor G protein-coupled receptor 30 in the rat central nervous system
E Brailoiu, SL Dun, GC Brailoiu, K Mizuo, LA Sklar, TI Oprea, ER Prossnitz, …
Journal of Endocrinology 193 (2), 311-321
|
329 | 2007 |
| Integration of virtual and physical screening
DC Fara, TI Oprea, ER Prossnitz, CG Bologa, BS Edwards, LA Sklar
Drug Discovery Today: Technologies 3 (4), 377-385
|
24 | 2007 |
| Target, chemical and bioactivity databases–integration is key
TI Oprea, A Tropsha
Drug Discovery Today: Technologies 3 (4), 357-365
|
55 | 2007 |
| G protein–coupled receptor 30 (GPR30) mediates gene expression changes and growth response to 17β-estradiol and selective GPR30 ligand G-1 in ovarian cancer cells
L Albanito, A Madeo, R Lappano, A Vivacqua, V Rago, A Carpino, …
Cancer research 67 (4), 1859-1866
|
341 | 2007 |
| Rü ster, B., Bistrian, R., and Seifried, E
V Paunescu, E Deak, D Herman, IR Siska, G Tanasie, C Bunu, S Anghel, …
vitro differentiation of human mesenchymal stem cells to epithelial lineage …
|
2 | 2007 |
| Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships
TI Oprea, CL Waller
Reviews in Computational Chemistry, Volume 11, 127-182
|
66 | 2007 |
| Lead-like, drug-like or “Pub-like”: how different are they?
TI Oprea, TK Allu, DC Fara, RF Rad, L Ostopovici, CG Bologa
Journal of computer-aided molecular design 21 (1-3), 113-119
|
99 | 2007 |
| Novel targets for the NIH Roadman Molecular Libraries Initiative
LA Sklar, J Arterburn, B Edwards, A Kiselyov, T Oprea, E Prossnitz
NEUROPSYCHOPHARMACOLOGY 31, S65-S66
|
2006 | |
| Identification of Off-Patent Drugs That Reverse Daunorubicin Efflux Mediated by ABCB1 in T-ALL Cells.
SS Winter, DM Lovato, HM Khawaja, BS Edwards, ID Steele, SM Young, …
Blood 108 (11), 2603-2603
|
2006 | |
| Steroid-binding G-protein-coupled receptors: new drug discovery targets for old ligands
ER Prossnitz, JB Arterburn, BS Edwards, LA Sklar, TI Oprea
Expert opinion on drug discovery 1 (2), 137-150
|
7 | 2006 |
| Biomolecular screening of formylpeptide receptor ligands with a sensitive, quantitative, high-throughput flow cytometry platform
BS Edwards, SM Young, TI Oprea, CG Bologa, ER Prossnitz, LA Sklar
NATURE PROTOCOLS-ELECTRONIC EDITION- 1 (1), 59
|
29 | 2006 |
| Flow cytometry and the NIH Roadmap Molecular Libraries Screening Initiative
BS Edwards, J Arterburn, S Biggs, C Bologa, T Buranda, D Cimino, …
CYTOMETRY PART A 69 (5), 409-409
|
2006 | |
| Virtual and biomolecular screening converge on a selective agonist for GPR30
CG Bologa, CM Revankar, SM Young, BS Edwards, JB Arterburn, …
Nature chemical biology 2 (4), 207-212
|
566 | 2006 |
| Oncology exploration: charting cancer medicinal chemistry space
DG Lloyd, G Golfis, AJS Knox, D Fayne, MJ Meegan, TI Oprea
Drug discovery today 11 (3), 149-159
|
45 | 2006 |
| QSAR and Molecular Modelling in Rational Design of Bioactive Molecules
TI Oprea, MA Kappler, TK Allu, M Mracec, MM Olah, R Rad, L Ostopovici, …
Computer Aided Drug Design & Development Society in Turkey
|
4 | 2006 |
| Bioactivity databases
M Olah, TI Oprea
Comprehensive Medicinal Chemistry II 3, 293-313
|
6 | 2006 |
| Cheminformatics Approaches to Fragment‐based Lead Discovery
TI Oprea, JM Blaney
Fragment-based approaches in drug discovery, 89-111
|
10 | 2006 |
| Chemical database preparation for compound acquisition or virtual screening
CG Bologa, MM Olah, TI Oprea
Bioinformatics and Drug Discovery, 375-388
|
21 | 2006 |
| Cheminformatics and drug discovery
TI Oprea, A Tropsha
Drug Discovery Today: Technologies 3 (4), 355-356
|
1 | 2006 |
| Rapid ADME filters for lead discovery
TI Oprea, P Benedetti, G Berellini, M Olah, K Fejgin, S Boyer
Molecular Interaction Fields: Applications in Drug Discovery and ADME …
|
2 | 2006 |
| Integration of virtual screening with high-throughput flow cytometry to identify novel small molecule formylpeptide receptor antagonists
BS Edwards, C Bologa, SM Young, KV Balakin, ER Prossnitz, …
Molecular pharmacology 68 (5), 1301-1310
|
101 | 2005 |
| Rapid evaluation of synthetic and molecular complexity for in silico chemistry
TK Allu, TI Oprea
Journal of chemical information and modeling 45 (5), 1237-1243
|
43 | 2005 |
| Surrogate data–a secure way to share corporate data
IV Tetko, R Abagyan, TI Oprea
Journal of computer-aided molecular design 19 (9), 749-764
|
11 | 2005 |
| Descriptor collision and confusion: Toward the design of descriptors to mask chemical structures
C Bologa, TK Allu, M Olah, MA Kappler, TI Oprea
Journal of computer-aided molecular design 19 (9), 625-635
|
14 | 2005 |
| MTD-PLS: A PLS variant of the minimal topologic difference method. III. Mapping interactions between estradiol derivatives and the alpha estrogenic receptor
L Kurunczi, E Seclaman, TI Oprea, L Crisan, Z Simon
Journal of chemical information and modeling 45 (5), 1275-1281
|
24 | 2005 |
| Post-high-throughput screening analysis: an empirical compound prioritization scheme
TI Oprea, CG Bologa, BS Edwards, ER Prossnitz, LA Sklar
Journal of biomolecular screening 10 (5), 419-426
|
19 | 2005 |
| High-throughput screening with HyperCyt® flow cytometry to detect small molecule formylpeptide receptor ligands
SM Young, C Bologa, ER Prossnitz, TI Oprea, LA Sklar, BS Edwards
Journal of biomolecular screening 10 (4), 374-382
|
59 | 2005 |
| Compound selection for virtual screening
TI Oprea, C Bologa, M Olah
Virtual Screening in Drug Discovery, 89-106
|
12* | 2005 |
| Dissociation of I Domain and Global Conformational Changes in LFA-1: Refinement of Small Molecule-I Domain Structure− Activity Relationships
RS Larson, T Davis, C Bologa, G Semenuk, S Vijayan, Y Li, T Oprea, …
Biochemistry 44 (11), 4322-4331
|
41 | 2005 |
| Cheminformatics in drug discovery (Methods and Principles in Medicinal Chemistry vol. 23)
TI OPREA
Wiley-VCH 1, 493
|
86* | 2005 |
| Isolation and purification of human insulin producing cells for the treatment of insulin dependent diabetes
V Paunescu, E Suciu, C Tatu, T Oprea, , T Oprea, , , T Oprea, , , , T Oprea
US Patent App. 11/029,541
|
2005 | |
| WOMBAT: world of molecular bioactivity
M Olah, M Mracec, L Ostopovici, R Rad, A Bora, N Hadaruga, I Olah, …
Chemoinformatics in drug discovery 1, 223-239
|
130 | 2005 |
| Strategies for compound selection
MM Olah, CG Bologa, TI Oprea
Current drug discovery technologies 1 (3), 211-220
|
76 | 2004 |
| Flow cytometry for high-throughput, high-content screening
BS Edwards, T Oprea, ER Prossnitz, LA Sklar
Current opinion in chemical biology 8 (4), 392-398
|
197 | 2004 |
| Integrating virtual screening in lead discovery
TI Oprea, H Matter
Current opinion in chemical biology 8 (4), 349-358
|
258 | 2004 |
| Next-generation therapeutics
T Oprea
Current opinion in Chemical biology 8 (4), 347-348
|
1 | 2004 |
| An automated PLS search for biologically relevant QSAR descriptors
M Olah, C Bologa, TI Oprea
Journal of computer-aided molecular design 18 (7-9), 437-449
|
77 | 2004 |
| Pursuing the leadlikeness concept in pharmaceutical research
MM Hann, TI Oprea
Current opinion in chemical biology 8 (3), 255-263
|
428 | 2004 |
| Screening with HyperCyt (R) high-throughput flow cytometry to detect small-molecule formyl-peptide receptor ligands
BS Edwards, SM Young, A Waller, C Bologa, T Oprea, ER Prossnitz, …
CYTOMETRY PART A 59 (1), 31-32
|
2004 | |
| Global method for mapping property spaces
J Gottfries, T Oprea
US Patent 6,675,136
|
8* | 2004 |
| In silico lead optimization
CMW Ho
Chemoinformatics in drug discovery, 199-219
|
3 | 2004 |
| Enhancing hit quality and diversity within assay throughput constraints
I McFadyen, G Walker, J Alvarez
Chemoinformatics in Drug Discovery, 141-173
|
8 | 2004 |
| Chemoinformatics in lead discovery
TI Oprea
Chemoinformatics in Drug Discovery, 23-41
|
7 | 2004 |
| 3D QSAR modeling in drug design
TI Oprea
Computational Medicinal Chemistry for drug discovery, 571-616
|
86* | 2004 |
| Surface descriptors for protein-ligand affinity prediction
I Zamora, T Oprea, G Cruciani, M Pastor, AL Ungell
Journal of medicinal chemistry 46 (1), 25-33
|
66 | 2003 |
| Chemoinformatics and the quest for leads in drug discovery
TI Oprea
Handbook of Chemoinformatics: From Data to Knowledge in 4 Volumes, 1508-1531
|
11 | 2003 |
| On the information content of 2D and 3D descriptors for QSAR
TI Oprea
Journal of the Brazilian Chemical Society 13 (6), 811-815
|
25 | 2002 |
| Distant collaboration in drug discovery: The LINK3D project
M Pastor, P Benedetti, A Carotti, A Carrieri, C Diaz, C Herraiz, HD Höltje, …
Journal of computer-aided molecular design 16 (11), 809-818
|
6 | 2002 |
| MTD-PLS: A PLS-based variant of the MTD method. 2. Mapping ligand-receptor interactions. Enzymatic acetic acid esters hydrolysis
L Kurunczi, M Olah, TI Oprea, C Bologa, Z Simon
Journal of chemical information and computer sciences 42 (4), 841-846
|
15 | 2002 |
| Pharmacokinetically based mapping device for chemical space navigation
TI Oprea, I Zamora, AL Ungell
Journal of combinatorial chemistry 4 (4), 258-266
|
79 | 2002 |
| Chemical space navigation in lead discovery
TI Oprea
Current opinion in chemical biology 6 (3), 384-389
|
84 | 2002 |
| Current trends in lead discovery: Are we looking at the appropriate property
TI Oprea
Journal of computer-aided molecular design 16 (5-6), 325-334
|
246 | 2002 |
| Current trends in lead discovery: Are we looking for the appropriate properties?
TI Oprea
Journal of computer-aided molecular design 16 (5-6), 325-334
|
234 | 2002 |
| Virtual screening in lead discovery: a viewpoint
TI Oprea
Molecules 7 (1), 51-62
|
107 | 2002 |
| Quantum Biochemistry and Specific Interactions: The QSAR and Quantum Chemistry Group of Timisoara
A Chiriac
Mirton
|
3 | 2002 |
| Science in post-communist Romania
L Giosan, T Oprea
Ad Astra 1 (2)
|
6* | 2002 |
| High throughput and virtual screening: choosing the appropriate leads
TI Oprea, J Li, S Muresan, KC Mattes
EuroQSAR, 40-47
|
5 | 2002 |
| On the propagation of errors in the QSAR literature
TI Oprea, M Olah, L Ostopovici, R Rad, M Mracec
EuroQSAR 2002 – Designing Drugs and crop protectants: processes, problems …
|
9 | 2002 |
| Is There a Difference Between Leads and Drugs? A Historical Perspective.
TI Oprea, AM Davis, SJ Teague, PD Leeson
Journal of chemical information and computer sciences 41 (5), 1308-1315
|
712 | 2001 |
| Solid-phase synthesis of libraries generated from a 4-phenyl-2-carboxy-piperazine scaffold
JW Nilsson, F Thorstensson, I Kvarnström, T Oprea, B Samuelsson, …
Journal of combinatorial chemistry 3 (6), 546-553
|
34 | 2001 |
| Cheminformatics: a tool for decision-makers in drug discovery.
T Olsson, TI Oprea
Current opinion in drug discovery & development 4 (3), 308-313
|
48 | 2001 |
| Rapid estimation of hydrophobicity for virtual combinatorial library analysis
TI Oprea
SAR and QSAR in Environmental Research 12 (1-2), 129-141
|
15 | 2001 |
| MTD-PLS: A PLS-based variant of the MTD method. A 3D-QSAR analysis of receptor affinities for a series of halogenated dibenzoxin and biphenyl derivatives
TI Oprea, L Kurunczi, M Olah, Z Simon
SAR and QSAR in Environmental Research 12 (1-2), 75-92
|
19 | 2001 |
| Chemography: the art of navigating in chemical space
TI Oprea, J Gottfries
Journal of combinatorial chemistry 3 (2), 157-166
|
264 | 2001 |
| De veghe în cercetarea românească
TI Oprea, AT Balaban
Mirton
|
5 | 2001 |
| Qvo vadis, scoring functions? Toward an integrated pharmacokinetic and binding Affinity Prediction Framework
TI Oprea, I Zamora, P Svensson
Combinatorial library design and eValuation for drug design, 233-266
|
11 | 2001 |
| Prediction of oral drug permeability
I Zamora, TI Oprea, AL Ungell
Rational approaches to drug design, 271-280
|
20 | 2001 |
| ChemGPS: A chemical space navigation tool
TI Oprea, J Gottfries
Rational Approaches to Drug Design, 437-446
|
13 | 2001 |
| Chemical information management in drug discovery: Optimizing the computational and combinatorial chemistry interfaces
TI Oprea, J Gottfries, V Sherbukhin, P Svensson, TC Kühler
Journal of Molecular Graphics and Modelling 18 (4), 512-524
|
46 | 2000 |
| Correlation between experimental electron affinities for aromatic derivatives and the values calculated with semiempirical MO methods
M Mracec, TI Oprea, M Mracec
REVUE ROUMAINE DE CHIMIE 45 (10), 949-954
|
2000 | |
| Property distribution of drug-related chemical databases
TI Oprea
Journal of computer-aided molecular design 14 (3), 251-264
|
449 | 2000 |
| Toward minimalistic modeling of oral drug absorption
TI Oprea, J Gottfries
Journal of Molecular Graphics and Modelling 17 (5), 261-274
|
107 | 1999 |
| The design of leadlike combinatorial libraries
SJ Teague, AM Davis, PD Leeson, T Oprea
Angewandte Chemie International Edition 38 (24), 3743-3748
|
595 | 1999 |
| Receptor-Based Prediction of Affinity
TI Oprea, GR Marshall
3D QSAR in Drug Design: Ligand-Protein Interactions and Molecular Similarity …
|
72* | 1998 |
| MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities
T Sulea, L Kurunczi, TI Oprea, Z Simon
Journal of computer-aided molecular design 12 (2), 133-146
|
10 | 1998 |
| Receptor-based prediction of binding affinities
TI Oprea, GR Marshall
Perspectives in Drug Discovery and Design 9, 35-61
|
68 | 1998 |
| A different method for steric field evaluation in CoMFA improves model robustness
T Sulea, TI Oprea, S Muresan, SL Chan
Journal of chemical information and computer sciences 37 (6), 1162-1170
|
28 | 1997 |
| Identification of a functional water channel in cytochrome P450 enzymes
TI Oprea, G Hummer, AE García
Proceedings of the National Academy of Sciences 94 (6), 2133-2138
|
113 | 1997 |
| QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?
TI Oprea, L Kurunczi, S Timofei
Dyes and pigments 33 (1), 41-64
|
29 | 1997 |
| Ligand-based identification of environmental estrogens
CL Waller, TI Oprea, K Chae, HK Park, KS Korach, SC Laws, TE Wiese, …
Chemical research in toxicology 9 (8), 1240-1248
|
205 | 1996 |
| Three‐dimensional model of a selective theophylline‐binding RNA molecule
CS Tung, TI Oprea, G Hummer, AE Garcia
Journal of Molecular Recognition 9 (4), 275-286
|
5 | 1996 |
| Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors
TI Oprea, AE García
Journal of computer-aided molecular design 10 (3), 186-200
|
67 | 1996 |
| VALIDATE: A new method for the receptor-based prediction of binding affinities of novel ligands
RD Head, ML Smythe, TI Oprea, CL Waller, SM Green, GR Marshall
Journal of the American Chemical Society 118 (16), 3959-3969
|
268 | 1996 |
| The Analysis of Complexes from the Brookhaven Database for the Receptor-based Prediction of Binding Affinities of Novel Ligands
ML Smythe, MJ Dooley, Y Strandberg, ML West, TE Ramsdale, RD Head, …
Chemical Design Automation News 4 (11), 18-19
|
1996 | |
| PREDICTION OF AFFINITY-THE KEY TO DE-NOVO DRUG DESIGN
GR MARSHALL, RD HEAD, ML SMYTHE, SM GREEN, CMW HO, …
FASEB JOURNAL 9 (6), A1253-A1253
|
1995 | |
| Physical, Inorganic, and Analytical
TI Oprea, CMW Ho, GR Marshall
|
1995 | |
| 3D QSAR and de novo design: choosing the appropriate tools
GR Marshall, CMW Ho, RD Head, ML Smythe, TI Oprea, CL Waller, …
QSAR and Molecular Modeling: Concepts, Computational Tools and Biological …
|
3 | 1995 |
| The basis of cross-reactivity for a series of steroids binding to a monoclonal antibody against progesterone (DB3): A molecular modeling and QSAR study
TI Oprea, RD Head, GR Marshall
QSAR and molecular modelling: Concepts, computational tools and biological …
|
5 | 1995 |
| De novo design: ligand construction and prediction of affinity
TI Oprea, CMW Ho, GR Marshall
ACS Symposium Series 589, 64-81
|
12 | 1995 |
| 3D-QSAR of human immunodeficiency virus (I) protease inhibitors. III. Interpretation of CoMFA results.
TI Opera, CL Waller, GR Marshall
Drug design and discovery 12 (1), 29-51
|
50 | 1994 |
| Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes
TI Oprea, CL Waller, GR Marshall
Journal of medicinal chemistry 37 (14), 2206-2215
|
110 | 1994 |
| Conformational analysis and experimental dipole moments: a study of furan derivatives
L Kurunczi, TI Sulea, TI Oprea
Journal of Molecular Structure: THEOCHEM 306 (2-3), 93-100
|
2 | 1994 |
| Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes
TI Oprea, CL Waller, GR Marshall
J. Med. Chem 37 (14), 2206-2215
|
117 | 1994 |
| Viral proteases: Structure and function
TI Oprea, CL Waller, GR Marshall
Modern Cell Biology 15, 183-183
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2 | 1994 |
| Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules
CL Waller, TI Oprea, A Giolitti, GR Marshall
Journal of medicinal chemistry 36 (26), 4152-4160
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181 | 1993 |
| MOLECULAR RECOGNITION DURING LIGAND-RECEPTOR INTERACTIONS. APPLICATIONS IN RECEPTOR MAPPING
TI Oprea, L Kurunczi
Specific Interaction and Biological Recognition Processes, 295
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1993 | |
| Multiconformational Minimal Steric Difference. Structure‐Acetylcholinesterase Hydrolysis Rates Relations for Acetic Acid Esters
D Ciubotariu, E Deretey, TI Oprea, T Sulea, Z Simon, L Kurunczi, …
Quantitative Structure‐Activity Relationships 12 (4), 367-372
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34 | 1993 |
| Comparison of the minimal steric difference (MTD) and comparative molecular field analysis (CoMFA) methods for analysis of binding of steroids to carrier proteins
TI Oprea, D Ciubotariu, TI Sulea, Z Simon
Quantitative Structure‐Activity Relationships 12 (1), 21-26
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38 | 1993 |
| Cheminformatics-Advanced: Data Analysis, Classification Methods, Quantitative Structure-Activity Relationships (QSAR)
DC Fara, TI Oprea
|
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| Computational Chemogenomics
H Koeppen, M Bieler, JL Reymond, L Ruddigkeit, M Awale, P Mukherjee, …
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| 3.14-Bioactivity Databases
M Olah, TI Oprea
Elsevier Ltd
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| Supplementary information: ChemProt-3.0: A global chemical-biology diseases mapping
J Kringelum, SK Kjærulff, TI Oprea, S Brunak, OL Olivier
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| Computational Medicinal Chemistry for Drug Discovery
I Pettersson, T Liljefors, K Gundertofte, PO Norrby, T Bredow, J Poul, …
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| A Disease Chemical Biology Database
O Taboureau, TI Oprea
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| UNMCMD Probe Report Title: Three small molecule pan activator families of Ras-related GTPases
Z Surviladze, O Ursu, F Miscioscia, R Curpan, L Halip, C Bologa, T Oprea, …
Substance 501, 57578335
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