Tudor Oprea

University of New Mexico School of Medicine, Albuquerque, New Mexico, Statele Unite ale Americii

Pagina web a instituţiei: http://biocomp.health.unm.edu
Pagina web personală: http://biocomp.health.unm.edu/people/tudor.shtml
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Născut(ă) în 1965

Interese: Informatica Chimica, Modelare Moleculara, QSAR, Descoperirea Medicamentelor, Identificarea de Structuri-Ghid

Detalii:
In prezent, interesat in descoperirea medicamentelor, folosind informatica chimica, modelare moleculara si screening virtual. Anterior am lucrat in urmatoarele domenii: citochromi P450 (si aromataza), receptori cuplati cu proteine G (si beta-adrenoceptori), Functii Scor, Spatiul structurilor-ghid, Navigarea in spatiul chimic (ChemGPS). Membru al consiliului de conducere al Societatii de QSAR si Modelare http://www.qsar.org . Membru al consiliului editorial, Journal of Molecular Graphics and Modelling.
Sectiunea va fi adusa la zi (proaspat mutat la UNM).

Din 1996 predau cursul de Proiectarea Moleculara a Medicamentului la Universitatea de Vest din Timisoara.

Publicaţii relevante:
• T. I. Oprea. Lead structure searching: Are we looking at the appropriate property?. J. Comput. -Aided Mol. Design, 16, pp. 325-334, 2002.
• L. Kurunczi, M. Olah, T. I. Oprea, C. Bologa, Z. Simon. MTD-PLS: A PLS-Based Variant of the MTD Method. 2. Mapping Ligand-Receptor Interactions. Enzymatic Acetic Acid Esters Hydrolysis. Journal of Chemical Information and Computer Science, 42, pp. 841-846, 2002.
• Tudor I Oprea. Chemical space navigation in lead discovery. Current Opinion in Chemical Biology, 6, pp. 384-389, 2002.
• Oprea, Tudor I.; Zamora, Ismael; Ungell, Anna-Lena. Pharmacokinetically Based Mapping Device for Chemical Space Navigation. Journal of Combinatorial Chemistry, 4, pp. 258-266, 2002.
• Oprea, Tudor I. . Virtual Screening in Lead Discovery: A Viewpoint. Molecules, 7(1), pp. 51-62, 2002.
• Zamora, Ismael; Oprea, Tudor I.; Ungell, Anna-Lena. Prediction of oral drug permeability. Rational Approaches to Drug Design, Proceedings of the 13th European Symposium on Quantitative Structure-Activity Relationships, pp. 271-280, 2001.
• Oprea, Tudor I.; Gottfries, Johan. ChemGPS: A chemical space navigation tool. In Hoeltje, Hans-Dieter; Sippl, Wolfgang (eds.), Rational Approaches to Drug Design, Proceedings of the 13th European Symposium on Quantitative Structure-Activity Relationships, pp. 437-446. Prous Science, Barcelona, Spain, 2001.
• Oprea, Tudor I.; Gottfries, Johan. . Chemography: The Art of Navigating in Chemical Space. . Journal of Combinatorial Chemistry, 3(2), pp. 157-166, 2001.
• Olsson, Thomas; Oprea, Tudor I. . Cheminformatics: a tool for decision-makers in drug discovery. . Curr. Opin. Drug Discovery Dev. , 4(3), pp. 308-313, 2001.
• Oprea, Tudor I.; Davis, Andrew M.; Teague, Simon J.; Leeson, Paul D. . Is There a Difference between Leads and Drugs? A Historical Perspective. . Journal of Chemical Information and Computer Sciences, 41(5), pp. 1308-1315, 2001.
• Nilsson, Jonas W.; Thorstensson, Fredrik; Kvarnstroem, Ingemar; Oprea, Tudor I.; Samuelsson, Bertil; Nilsson, Ingemar. . Solid-phase synthesis of libraries generated from a 4-phenyl-2-carboxy-piperazine scaffold. . Journal of Combinatorial Chemistry, 3(6), pp. 546-553, 2001.
• Oprea, Tudor I.; Kurunczi, Ludovic; Olah, Marius; Simon, Zeno. 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. . SAR QSAR Environ. Res. , 12(1-2), pp. 75-92, 2001.
• Oprea, Tudor I. . Rapid estimation of hydrophobicity for virtual combinatorial library analysis. . SAR and QSAR in Environmental Research, 12(1-2), pp. 129-141, 2001.
• Oprea, Tudor I. . Property distribution of drug-related chemical databases. . J. Comput. -Aided Mol. Des. , 14(3), pp. 251-264, 2000.
• Oprea, T. I.; Gottfries, J.; Sherbukhin, V.; Svensson, P.; Kuhler, T. C. . Chemical information management in drug discovery: optimizing the computational and combinatorial chemistry interfaces. . J. Mol. Graphics Modell. , 18(4/5), pp. 512-524, 2000.
• Mracec, Maria; Oprea, Tudor I.; Mracec, Mircea. Correlation between experimental electron affinities for aromatic derivatives and the values calculated with semiempirical MO methods. . Revue Roumaine de Chimie, 45(10), pp. 949-954, 2000.
• Teague, Simon J.; Davis, Andrew M.; Leeson, Paul D.; Oprea, Tudor I. . The design of leadlike combinatorial libraries. . Angew. Chem., Int. Ed. , 38(24), pp. 3743-3748, 1999.
• Oprea, T. I.; Gottfries, J. . Toward minimalistic modeling of oral drug absorption. . Journal of Molecular Graphics & Modelling, 17(5/6), pp. 261-274, 1999.
• Oprea, Tudor I.; Marshall, Garland R. Receptor-based prediction of binding affinities. . Perspect. Drug Discovery Des. , 9-11, pp. 35-61, 1998.
• Sulea, Traian; Kurunczi, Ludovic; Oprea, Tudor I.; Simon, Zeno. . MTD-ADJ: a multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities. . J. Comput. -Aided Mol. Des. , 12(2), pp. 133-146, 1998.
• Oprea, Tudor Ionel; Kurunczi, Ludovic; Timofei, Simona. QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?. Dyes Pigm. , 33(1), pp. 41-64, 1997.
• Sulea, Traian; Oprea, Tudor Ionel; Muresan, Sorel; Chan, Shek Ling. A different method for steric field evaluation in CoMFA improves model robustness. . J. Chem. Inf. Comput. Sci. , 37(6), pp. 1162-1170, 1997.
• Oprea, Tudor I.; Hummer, Gerhard; Garcia, Angel E. . Identification of a functional water channel in cytochrome P450 enzymes. . Proc. Natl. Acad. Sci. U. S. A. , 94(6), pp. 2133-2138, 1997.
• Head, Richard D.; Smythe, Mark L.; Oprea, Tudor I.; Waller, Chris L.; Green, Stuart M.; Marshall, Garland R. VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands. . J. Am. Chem. Soc. , 118(16), pp. 3959-3969, 1996.
• Oprea, Tudor I.; Garcia, Angel E. . Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors. . J. Comput. -Aided Mol. Des. , 10(3), pp. 186-200, 1996.
• Waller, Chris L.; Oprea, Tudor I.; Chae, Kun; Park, Hee-Kyoung; Korach, Kenneth S.; Laws, Susan C.; Wiese, Thomas E.; Kelce, William R.; Gray, L. Earl Jr. Ligand-Based Identification of Environmental Estrogens. . Chem. Res. Toxicol. , 9(8), pp. 1240-1248, 1996.
• Tung, C. -S.; Oprea, T. I.; Hummer, G.; Garcia, A. E. . Three-dimensional model of a selective theophylline-binding RNA molecule. . J. Mol. Recognit. , 9(4), pp. 275-286, 1996.

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