M. Jalaie

发表

Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.

Richard A. Lewis, M. Vieth, D. Robertson, 2004, Journal of medicinal chemistry.

Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.

N. Powell, Michael D. Kaufman, S. D. Emerson, 2007, Analytical biochemistry.

Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.

E. Gifford, S. Schefzick, C. Waller, 2004, Methods in molecular biology.

Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors.

N. Powell, M. J. Ryan, E. Zhang, 2007, Bioorganic & medicinal chemistry letters.

Discovery of novel non-peptidic ketopiperazine-based renin inhibitors.

N. Powell, D. Downing, M. Jalaie, 2005, Bioorganic & medicinal chemistry.

Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors.

N. Powell, M. J. Ryan, E. Zhang, 2005, Bioorganic & medicinal chemistry letters.

Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.

N. Powell, M. J. Ryan, E. Zhang, 2007, Bioorganic & medicinal chemistry.

Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors.

N. Powell, M. J. Ryan, M. Jalaie, 2005, Bioorganic & medicinal chemistry letters.

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.

J. Chen, N. Powell, J. Ohren, 2013, Bioorganic & medicinal chemistry letters.

Prediction of Drug-Like Molecular Properties

Chris L. Waller, Eric Gifford, Mehran Jalaie, 2004 .

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

J. Christensen, J. Cui, M. Tran-Dube, 2012, Journal of medicinal chemistry.

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.

W. Lindner, S. Schefzick, M. Jalaie, 2000, Chirality.

Enantiodiscrimination by a quinine-based chiral stationary phase: a computational study.

W. Lindner, S. Schefzick, M. Jalaie, 2000, Chirality.

Structure-Based Drug Design and Synthesis of PI3Kα-Selective Inhibitor (PF-06843195).

Ping Chen, Hong Shen, M. Pairish, 2020, Journal of medicinal chemistry.

Model studies of six-membered water clusters

C. E. Dykstra, M. Jalaie, K. A. Franken, 1992 .

Reviving B-Factors: Activating ALK Mutations Increase Protein Dynamics of the Unphosphorylated Kinase.

D. Gehlhaar, M. McTigue, Sergei L Timofeevski, 2018, ACS medicinal chemistry letters.

Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.

Deepak Dalvie, Michael Zientek, Rose Ann Ferre, 2016, Journal of medicinal chemistry.

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.

J. Ohren, A. Geyer, A. Casimiro-Garcia, 2011, Journal of medicinal chemistry.

Homology model directed alignment selection for comparative molecular field analysis: Application to photosystem II inhibitors

Jon A. Erickson, Mehran Jalaie, J. Erickson, 2000, J. Comput. Aided Mol. Des..

Conditional Probability: A New Fusion Method for Merging Disparate Virtual Screening Results

John W. Raymond, Mary P. Bradley, Mehran Jalaie, 2004, J. Chem. Inf. Model..

Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.

N. Sach, M. McTigue, Sergei L Timofeevski, 2023, Journal of medicinal chemistry.

Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.

M. Hickey, M. Pairish, S. Greasley, 2013, Bioorganic & medicinal chemistry letters.

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.

A. Mutlib, C. Bigge, M. Jalaie, 2009, Chemical research in toxicology.

Virtual screening: are we there yet?

Veerabahu Shanmugasundaram, Mehran Jalaie, V. Shanmugasundaram, 2006, Mini reviews in medicinal chemistry.

K. Gajiwala, N. Sach, Sherry L. Niessen, 2016, Journal of medicinal chemistry.

Modulating force constants in molecular springs

Daniel H. Robertson, Kenny B. Lipkowitz, Mehran Jalaie, 1997 .