Mehran Jalaie, Ph.D. - Publications

2000 Purdue University, West Lafayette, IN, United States 
Physical Chemistry

29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Cheng H, Nair SK, Murray BW, Almaden C, Bailey S, Baxi S, Behenna DC, Cho-Schultz S, Dalvie D, Dinh DM, Edwards MP, Feng JL, Ferre R, Gajiwala KS, Hemkens MD, ... ... Jalaie M, et al. Discovery of 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988), A Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. Journal of Medicinal Chemistry. PMID 26756222 DOI: 10.1021/Acs.Jmedchem.5B01633  0.6
2013 Guo C, Linton A, Jalaie M, Kephart S, Ornelas M, Pairish M, Greasley S, Richardson P, Maegley K, Hickey M, Li J, Wu X, Ji X, Xie Z. Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. Bioorganic & Medicinal Chemistry Letters. 23: 3358-63. PMID 23622982 DOI: 10.1016/j.bmcl.2013.03.090  0.6
2013 Casimiro-Garcia A, Heemstra RJ, Bigge CF, Chen J, Ciske FA, Davis JA, Ellis T, Esmaeil N, Flynn D, Han S, Jalaie M, Ohren JF, Powell NA. Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Bioorganic & Medicinal Chemistry Letters. 23: 767-72. PMID 23265881 DOI: 10.1016/j.bmcl.2012.11.088  0.6
2012 Cui JJ, McTigue M, Nambu M, Tran-Dubé M, Pairish M, Shen H, Jia L, Cheng H, Hoffman J, Le P, Jalaie M, Goetz GH, Ryan K, Grodsky N, Deng YL, et al. Discovery of a novel class of exquisitely selective mesenchymal-epithelial transition factor (c-MET) protein kinase inhibitors and identification of the clinical candidate 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the treatment of cancer. Journal of Medicinal Chemistry. 55: 8091-109. PMID 22924734 DOI: 10.1021/Jm300967G  0.6
2011 Casimiro-Garcia A, Filzen GF, Flynn D, Bigge CF, Chen J, Davis JA, Dudley DA, Edmunds JJ, Esmaeil N, Geyer A, Heemstra RJ, Jalaie M, Ohren JF, Ostroski R, Ellis T, et al. Discovery of a series of imidazo[4,5-b]pyridines with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-γ. Journal of Medicinal Chemistry. 54: 4219-33. PMID 21557540 DOI: 10.1021/Jm200409S  0.6
2011 Raymond JW, Holsworth DD, Jalaie M. The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers. Journal of Computational Chemistry. 32: 210-7. PMID 20662084 DOI: 10.1002/jcc.21586  0.6
2009 Chen H, Zientek M, Jalaie M, Zhang Y, Bigge C, Mutlib A. Characterization of cytochrome P450-mediated bioactivation of a compound containing the chemical scaffold, 4,5-dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide), to a chemically reactive p-chlorophenyl isocyanate intermediate in human liver microsomes. Chemical Research in Toxicology. 22: 1603-12. PMID 19697924 DOI: 10.1021/tx900167y  0.6
2008 Holsworth DD, Jalaie M. Targeted inhibition of hedgehog signaling by cyclopamine prodrugs for advanced prostate cancer Chemtracts. 21: 155-160.  0.6
2007 Powell NA, Ciske FL, Cai C, Holsworth DD, Mennen K, Van Huis CA, Jalaie M, Day J, Mastronardi M, McConnell P, Mochalkin I, Zhang E, Ryan MJ, Bryant J, Collard W, et al. Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors. Bioorganic & Medicinal Chemistry. 15: 5912-49. PMID 17574423 DOI: 10.1016/j.bmc.2007.05.069  0.6
2007 Holsworth DD, Jalaie M, Belliotti T, Cai C, Collard W, Ferreira S, Powell NA, Stier M, Zhang E, McConnell P, Mochalkin I, Ryan MJ, Bryant J, Li T, Kasani A, et al. Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors. Bioorganic & Medicinal Chemistry Letters. 17: 3575-80. PMID 17482464 DOI: 10.1016/j.bmcl.2007.04.052  0.6
2007 Sarver RW, Peevers J, Cody WL, Ciske FL, Dyer J, Emerson SD, Hagadorn JC, Holsworth DD, Jalaie M, Kaufman M, Mastronardi M, McConnell P, Powell NA, Quin J, Van Huis CA, et al. Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Analytical Biochemistry. 360: 30-40. PMID 17113558 DOI: 10.1016/j.ab.2006.10.017  0.6
2006 Jalaie M, Shanmugasundaram V. Virtual screening: are we there yet? Mini Reviews in Medicinal Chemistry. 6: 1159-67. PMID 17073716 DOI: 10.2174/138955706778560157  0.6
2006 Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, et al. Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Bioorganic & Medicinal Chemistry Letters. 16: 2500-4. PMID 16480874 DOI: 10.1016/j.bmcl.2006.01.084  0.6
2005 Jalaie M, Holsworth DD. QT interval prolongation: and the beat goes on. Mini Reviews in Medicinal Chemistry. 5: 1083-91. PMID 16375754  0.6
2005 Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Edmunds JJ. Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. Bioorganic & Medicinal Chemistry Letters. 15: 4713-6. PMID 16143527 DOI: 10.1016/j.bmcl.2005.07.063  0.6
2005 Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Zhang E, Edmunds JJ. Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors. Bioorganic & Medicinal Chemistry Letters. 15: 2371-4. PMID 15837327 DOI: 10.1016/j.bmcl.2005.02.085  0.6
2005 Holsworth DD, Powell NA, Downing DM, Cai C, Cody WL, Ryan JM, Ostroski R, Jalaie M, Bryant JW, Edmunds JJ. Discovery of novel non-peptidic ketopiperazine-based renin inhibitors. Bioorganic & Medicinal Chemistry. 13: 2657-64. PMID 15755665 DOI: 10.1016/j.bmc.2005.01.048  0.6
2005 Cody WL, Holsworth DD, Powell NA, Jalaie M, Zhang E, Wang W, Samas B, Bryant J, Ostroski R, Ryan MJ, Edmunds JJ. The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors. Bioorganic & Medicinal Chemistry. 13: 59-68. PMID 15582452 DOI: 10.1016/j.bmc.2004.09.056  0.6
2005 Holsworth DD, Jalaie M. Nonpeptidic, noncovalent inhibitors of the cysteine protease cathepsin S Chemtracts. 18: 221-225.  0.6
2004 Jalaie M, Arimoto R, Gifford E, Schefzick S, Waller CL. Prediction of drug-like molecular properties: modeling cytochrome p450 interactions. Methods in Molecular Biology (Clifton, N.J.). 275: 449-520. PMID 15141126 DOI: 10.1385/1-59259-802-1:449  0.6
2004 Raymond JW, Jalaie M, Bradley MP. Conditional probability: a new fusion method for merging disparate virtual screening results. Journal of Chemical Information and Computer Sciences. 44: 601-9. PMID 15032541 DOI: 10.1021/ci034234o  0.6
2004 Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M. Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy. Journal of Medicinal Chemistry. 47: 45-55. PMID 14695819 DOI: 10.1021/Jm030209Y  0.6
2003 Holsworth DD, Jalaie M. A Model for Predicting Likely Sites of CYP3A4-Mediated Metabolism on Drug-like Molecules Chemtracts. 16: 827-829.  0.6
2000 Schefzick S, Lämmerhofer M, Lindner W, Lipkowitz KB, Jalaie M. Comparative molecular field analysis of quinine derivatives used as chiral selectors in liquid chromatography: 3D QSAR for the purposes of molecular design of chiral stationary phases. Chirality. 12: 742-50. PMID 11054833 DOI: 10.1002/1520-636X(2000)12:10<742::Aid-Chir7>3.0.Co;2-M  0.6
2000 Jalaie M, Erickson JA. Homology model directed alignment selection for comparative molecular field analysis: Application to photosystem II inhibitors Journal of Computer-Aided Molecular Design. 14: 181-197. PMID 10721505 DOI: 10.1023/A:1008198211292  0.6
2000 Schefzick S, Lindner W, Lipkowitz KB, Jalaie M. Enantiodiscrimination by a quinine-based chiral stationary phase: a computational study. Chirality. 12: 7-15. PMID 10602261 DOI: 10.1002/(Sici)1520-636X(2000)12:1<7::Aid-Chir3>3.0.Co;2-Q  0.6
2000 Jalaie M, Lipkowitz KB. Published force field parameters for molecular mechanics, molecular dynamics, and Monte Carlo simulations Reviews in Computational Chemistry. 14: 441-486.  0.6
1999 Lipkowitz KB, Jalaie M, Robertson D, Barth A. Interdisciplinary Learning with Computational Chemistry: A Collaboration between Chemistry and Geology Journal of Chemical Education. 76: 684-688. DOI: 10.1021/Ed076P684  0.6
1992 Franken KA, Jalaie M, Dykstra CE. Model studies of six-membered water clusters Chemical Physics Letters. 198: 59-66. DOI: 10.1016/0009-2614(92)90049-S  0.6
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