Journal

Journal of Medicinal Chemistry

ISSN 0022-2623 · American Chemical Society

OpenAlex S162030435

Published here

62 counted works of 62 linked

YearTitleAcademicsSources
2025 Discovery, Optimization, and Anticancer Activity of Lipid-Competitive Pleckstrin Homology Domain-Containing Family A Inhibitors Jeremy M. Baskin GS
2025 Sulfilimines from a Medicinal Chemist’s Perspective: Physicochemical and in Vitro Parameters Relevant for Drug Discovery Jon Ellman CV OA GS
2023 A novel brain PET radiotracer for imaging alpha synuclein fibrils in multiple system atrophy E. James Petersson GS
2023 Design and development of IKZF2 and CK1a dual degraders Christina Woo CV OA
2021 A Photohormone for Light-Dependent Control of PPARα in Live Cells Dirk Trauner CV OA GS
2020 Photohormones Enable Optical Control of the Peroxisome Proliferator-Activated Receptor γ (PPARγ) Dirk Trauner CV OA GS
2020 Selective JAK2 Pseudokinase Ligands with a Diaminotriazole Core. William Jorgensen CV OA
2019 Synthesis and biological investigation of phenothiazine-based benzhydroxamic acids as selective histone deacetylase 6 inhibitors David W. Christianson GS
2018 Advances and Insights for Small Molecule Inhibition of Macrophage Migration Inhibitory Factor. William Jorgensen CV OA
2018 Histone deacetylase 6-selective inhibitors and the influence of capping groups on hydroxamate-zinc denticity David W. Christianson GS
2018 N-(7-cyano-6-(4- fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2- yl)cyclopropanecarboxamide (TAK632) Promotes Inhibition of BRAF Through the Induction of Inhibited Dimers Jeffrey D. Winkler CV OA GS
2018 N‑(7-Cyano-6-(4-fluoro-3-(2-(3-(tri 苯 luoro 衫 ethyl) 計 henyl) 苔 cet 苔 mido) 計 hen 觔 xy) 苑 enzo 茉 d] thi 苔 zol-2-yl) 苞 yclo 計 ro 計 ane 苞 arb 觔 x 苔 mide (TAK632 … Jeffrey D. Winkler GS
2017 X-Ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors Jon Ellman CV OA GS
2016 OpenGrowth: an automated and rational algorithm for finding new protein ligands Eugene I. Shakhnovich GS
2015 Design, synthesis, and cardioprotective effects of N-mercapto-based hydrogen sulfide donors Ming Xian GS
2015 Structure-based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility that Target HIV Reverse Transcriptase Variants William Jorgensen CV OA
2014 Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors William Jorgensen CV OA
2013 Bifunctional Inhibition of HIV-1 Reverse Transcriptase: Mechanism and proof-of- concept as a novel therapeutic design strategy. William Jorgensen CV OA
2013 Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17β-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant … David W. Christianson GS
2013 Structural characterization of amorfrutins bound to the peroxisome proliferator-activated receptor γ Frank C. Schroeder GS
2013 Substrate-Based Fragment Identification for the Development of Selective, Nonpeptidic Inhibitors of Striatal-Enriched Protein Tyrosine Phophatase Jon Ellman CV OA GS
2012 Development of Potent and Selective Inhibitors of Aldo-Keto Reductase 1C3 (type 5 17b-hydroxysteroid dehydrogenase) Based on N-Phenyl-Aminobenzoates and Their Structure Activity Relationships Jeffrey D. Winkler CV OA GS
2012 Identification of a Novel Family of BRAF(V600E) Inhibitors Jeffrey D. Winkler CV OA GS
2012 Methyl Effects on Protein-Ligand Binding. William Jorgensen CV OA GS
2012 Synthesis, chemical reactivity as Michael acceptors, and biological potency of monocyclic cyanoenones, novel and highly potent anti-inflammatory and cytoprotective agents Dale F. Mierke GS
2012 Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum MIF. William Jorgensen CV OA
2011 Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents. William Jorgensen CV OA GS
2010 Discovery of Novel FGFR1 Kinase Inhibitors by Structure-Based Virtual Screening. William Jorgensen CV OA
2010 Nonpeptidic Tetrafluorophenoxymethyl Ketone Cruzain Inhibitors as Promising New Leads for Chagas Disease Chemotherapy Jon Ellman CV OA GS
2010 Synthesis and Evaluation of Selected Key Methyl Ether Derivatives of Vancomycin Aglycon. William Jorgensen CV OA
2009 Discovery of Human Macrophage Migration Inhibitory Factor (MIF)-CD74 Antagonists via Virtual Screening. William Jorgensen CV OA GS
2007 From Docking False-Positive to Active Anti-HIV Agent. William Jorgensen CV OA
2007 Nonpeptidic Inhibitors of Cathepsin S with an Unprecedented Binding Mode Jon Ellman CV OA GS
2007 Small Molecule Inhibitors of Integrin a2b1 Jeffrey D. Winkler CV OA GS
2006 Contribution of Conformer Focusing to the Uncertainty in Predicting Free Energies for Protein-Ligand Binding. William Jorgensen CV OA GS
2006 Identification of Selective, Nonpeptidic Nitrile Inhibitors of Cathepsin S using the Substrate Activity Screening Method Jon Ellman CV OA GS
2005 Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics. William Jorgensen CV OA GS
2005 Synthesis and enzyme-specific activation of carbohydrate− geldanamycin conjugates with potent anticancer activity Ming Xian GS
2004 2-(2-(Dimethylaminomethyl)phenoxy)-5-iodophenylamine: An Improved Serotonin Transporter Imaging Agent Jeffrey D. Winkler CV OA GS
2004 General Model for Estimation of the Inhibition of Protein Kinases Using Monte Carlo Simulations. William Jorgensen CV OA
2004 Structural and Energetic Analyses for the Effects of the K103N Mutation of HIV-1 Reverse Transcriptase on Efavirenz Analogs. William Jorgensen CV OA
2003 Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations. William Jorgensen CV OA
2003 Molecular Modeling Calculations of HIV-1 Reverse Transcriptase Nonnucleoside Inhibitors: Correlation of Binding Energy with Biological Activity for Novel 2-Aryl- Substituted Benzimidazole Analogs. William Jorgensen CV OA
2002 Identification of Potent and Selective Mechanism-Based Inhibitors of the Cysteine Protease Cruzain Using Solid-Phase Parallel Synthesis Jon Ellman CV OA GS
2002 Prediction of Activity for Non-nucleoside Inhibitors with HIV Reverse Transcriptase Based on Monte Carlo Simulations. William Jorgensen CV OA GS
2002 Small molecule growth 2001 (SMoG2001): An improved knowledge-based scoring function for protein− ligand interactions Eugene I. Shakhnovich GS
2001 Estimation of Binding Affinities for HEPT and Nevirapine Analogs with HIV-1 Reverse Transcriptase via Monte Carlo Simulations William Jorgensen CV OA GS
2001 Estimation of Binding Affinities for Selective Thrombin Inhibitors via Monte Carlo Simulations William Jorgensen CV OA
2000 Developing a Dynamic Pharmacaphore Model for HIV-1 Integrase William Jorgensen CV OA GS
1999 Compounds that activate the mouse melanocortin-1 receptor identified by screening a small molecule library based upon the β-turn Jon Ellman GS
1999 Identification of Agonists at the Human Melanocortin Receptor MC1R By the Evaluation of a Library of Small Molecules Based upon the -Turn Jon Ellman CV
1999 Single Digit Nanomolar, Low Molecular Weight Non-Peptide Inhibitors of Malarial Aspartyl Protease Plasmepsin II Jon Ellman CV OA GS
1998 Investigations of Neurotrophic Inhibitors of FK506 Binding Protein via Monte Carlo Simulations William Jorgensen CV OA
1998 Prediction of Binding Affinities for TIBO Inhibitors of HIV-1 Reverse Transcriptase Using Monte Carlo Simulations in a Linear Response Method William Jorgensen CV OA GS
1998 Vancomycin: conformational consequences of the sugar substituent Dale F. Mierke GS
1997 Binding Affinities for Sulfonamide Inhibitors with HumanThrombin using Monte Carlo Simulations with a Linear Response Method William Jorgensen CV OA GS
1997 Conformational studies of RS-66271, an analog of parathyroid hormone-related protein with pronounced bone anabolic activity Dale F. Mierke GS
1997 Threonine6-bradykinin: structural characterization in the presence of micelles by nuclear magnetic resonance and distance geometry Dale F. Mierke GS
1995 Expedient Method for the Solid-Phase Synthesis of Aspartic Acid Protease Inhibitors Directed toward the Generation of Libraries Jon Ellman CV GS
1995 Secondary interactions significantly removed from the sulfonamide binding pocket of carbonic anhydrase II influence inhibitor binding constants David W. Christianson GS
1994 Comparison of the conformation of active and nonactive backbone cyclic analogs of substance P as a tool to elucidate features of the bioactive conformation: NMR and molecular … Dale F. Mierke GS
1994 Identification of two hydrophobic patches in the active-site cavity of human carbonic anhydrase II by solution-phase and solid-state studies and their use in the development of … David W. Christianson GS