Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency

What coronavirus 3C‐like protease tells us: From structure, substrate selectivity, to inhibitor design

(2021) Muya Xiong et al.   MEDICINAL RESEARCH REVIEWS

Potency, Safety, and Pharmacokinetic Profiles of Potential Inhibitors Targeting SARS-CoV-2 Main Protease

(2021) Hylemariam Mihiretie Mengist et al.   Frontiers in Pharmacology

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

(2021) Chun-Hui Zhang et al.   ACS Central Science

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Learning from the Past: Possible Urgent Prevention and Treatment Options for Severe Acute Respiratory Infections Caused by 2019‐nCoV

(2020) Jared S. Morse et al.   CHEMBIOCHEM

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics

(2020) Arun K. Ghosh et al.   ChemMedChem

Lack of Antiviral Activity of Darunavir against SARS-CoV-2

(2020) Sandra De Meyer et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur

(2020) Zhenming Jin et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

Chemistry and Biology of SARS-CoV-2

(2020) Alexander Dömling et al.   Chem

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

(2020) Mohammad M. Ghahremanpour et al.   ACS Medicinal Chemistry Letters

Mechanistic Development and Recent Applications of the Chan–Lam Amination

(2019) Matthew J. West et al.   CHEMICAL REVIEWS

Drug permeability profiling using cell-free permeation tools: Overview and applications

(2018) Philippe Berben et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations

(2017) Zoe Cournia et al.   Journal of Chemical Information and Modeling

LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

(2017) Leela S. Dodda et al.   NUCLEIC ACIDS RESEARCH

Computer-aided discovery of anti-HIV agents

(2016) William L. Jorgensen   BIOORGANIC & MEDICINAL CHEMISTRY

Systematic Study of Effects of Structural Modifications on the Aqueous Solubility of Drug-like Molecules

(2016) José A. Cisneros et al.   ACS Medicinal Chemistry Letters

Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field

(2015) Michael J. Robertson et al.   Journal of Chemical Theory and Computation

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

(2015) Lingle Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Drug Lead Discovery and Optimization

(2009) William L. Jorgensen   ACCOUNTS OF CHEMICAL RESEARCH

Study of equilibrium solubility measurement by saturation shake-flask method using hydrochlorothiazide as model compound

(2007) Edit Baka et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS