Publications by authors named "Mehran Jalaie"

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Discovery of Atirmociclib (PF-07220060): A Potent and Selective CDK4 Inhibitor.
Gary M Gallego, Cynthia Palmer, Suvi Orr, Louise Bernier, Ping Chen, Mehran Jalaie

J Med Chem· December 2025

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Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.
Mehran Jalaie, Jindřich Fanfrlík, Adam Pecina, Martin Lepšík, Jan Řezáč

J Chem Inf Model· August 2025

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CDK4 selective inhibition improves preclinical anti-tumor efficacy and safety.
Cynthia L Palmer, Britton Boras, Bernadette Pascual, Na Li, Danan Li, Mehran Jalaie

Cancer Cell· March 2025

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Discovery of PF-07265028, A Selective Small Molecule Inhibitor of Hematopoietic Progenitor Kinase 1 (HPK1) for the Treatment of Cancer.
Rebecca A Gallego, Sujin Cho-Schultz, Matthew Del Bel, Anne-Marie Dechert-Schmitt, Joyann S Donaldson, Mehran Jalaie

J Med Chem· December 2024

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Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
Rebecca A Gallego, Louise Bernier, Hui Chen, Sujin Cho-Schultz, Loanne Chung, Mehran Jalaie

J Med Chem· April 2023

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Structure-Based Drug Design and Synthesis of PI3Kα-Selective Inhibitor (PF-06843195).
Hengmiao Cheng, Suvi T M Orr, Simon Bailey, Alexei Brooun, Ping Chen, Mehran Jalaie

J Med Chem· January 2021

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Reviving B-Factors: Activating ALK Mutations Increase Protein Dynamics of the Unphosphorylated Kinase.
Ted W Johnson, Ben Bolanos, Alexei Brooun, Rebecca A Gallego, Dan Gehlhaar, Mehran Jalaie

ACS Med Chem Lett· September 2018

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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.
Hengmiao Cheng, Sajiv K Nair, Brion W Murray, Chau Almaden, Simon Bailey, Mehran Jalaie

J Med Chem· March 2016

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Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.
Chuangxing Guo, Angelica Linton, Mehran Jalaie, Susan Kephart, Martha Ornelas

Bioorg Med Chem Lett· June 2013

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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.
Agustin Casimiro-Garcia, Ronald J Heemstra, Christopher F Bigge, Jing Chen, Fred A Ciske, Mehran Jalaie

Bioorg Med Chem Lett· February 2013

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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.
J Jean Cui, Michele McTigue, Mitchell Nambu, Michelle Tran-Dubé, Mason Pairish, Mehran Jalaie

J Med Chem· September 2012

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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.
Agustin Casimiro-Garcia, Gary F Filzen, Declan Flynn, Christopher F Bigge, Jing Chen, Mehran Jalaie

J Med Chem· June 2011

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The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliers.
John W Raymond, Daniel D Holsworth, Mehran Jalaie

J Comput Chem· January 2011

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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.
Hao Chen, Michael Zientek, Mehran Jalaie, Yanhua Zhang, Christopher Bigge

Chem Res Toxicol· September 2009

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Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.
Noel A Powell, Fred L Ciske, Cuiman Cai, Daniel D Holsworth, Ken Mennen, Mehran Jalaie

Bioorg Med Chem· September 2007

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Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors.
Daniel D Holsworth, Mehran Jalaie, Thomas Belliotti, Cuiman Cai, Wendy Collard

Bioorg Med Chem Lett· July 2007

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Binding thermodynamics of substituted diaminopyrimidine renin inhibitors.
Ronald W Sarver, Jeanette Peevers, Wayne L Cody, Fred L Ciske, Jim Dyer, Mehran Jalaie

Anal Biochem· January 2007

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Virtual screening: are we there yet?
Mehran Jalaie, Veerabahu Shanmugasundaram

Mini Rev Med Chem· October 2006

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Ketopiperazine-based renin inhibitors: optimization of the "C" ring.
Daniel D Holsworth, Cuiman Cai, Xue-Min Cheng, Wayne L Cody, Dennis M Downing, Mehran Jalaie

Bioorg Med Chem Lett· May 2006

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QT interval prolongation: and the beat goes on.
Mehran Jalaie, Daniel D Holsworth

Mini Rev Med Chem· December 2005

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Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors.
Noel A Powell, Emma H Clay, Daniel D Holsworth, John W Bryant, Michael J Ryan, Mehran Jalaie

Bioorg Med Chem Lett· November 2005

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Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors.
Noel A Powell, Emma H Clay, Daniel D Holsworth, John W Bryant, Michael J Ryan, Mehran Jalaie

Bioorg Med Chem Lett· May 2005

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Discovery of novel non-peptidic ketopiperazine-based renin inhibitors.
Daniel D Holsworth, Noel A Powell, Dennis M Downing, Cuiman Cai, Wayne L Cody, Mehran Jalaie

Bioorg Med Chem· April 2005

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The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors.
Wayne L Cody, Daniel D Holsworth, Noel A Powell, Mehran Jalaie, Erli Zhang

Bioorg Med Chem· January 2005

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Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.
Mehran Jalaie, Rieko Arimoto, Eric Gifford, Sabine Schefzick, Chris L Waller

Methods Mol Biol· July 2004

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