Repurposing clinically approved drugs for COVID-19 treatment targeting SARS-CoV-2 papain-like protease

Molecular Simulations suggest Vitamins, Retinoids and Steroids as Ligands of the Free Fatty Acid Pocket of the SARS‐CoV‐2 Spike Protein

(2021) Deborah Karen Shoemark et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery

(2021) Ziyang Fu et al.   Nature Communications

High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors

(2021) Yao Zhao et al.   Protein & Cell

In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2)

(2020) Xueting Yao et al.   CLINICAL INFECTIOUS DISEASES

HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes

(2020) Tianshu Xiao et al.   Nature Chemical Biology

Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity

(2020) Donghyuk Shin et al.   NATURE

Mechanism and inhibition of the papain‐like protease, PLpro, of SARS‐CoV‐2

(2020) Theresa Klemm et al.   EMBO JOURNAL

Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix

(2019) Nigel W. Moriarty et al.   Acta Crystallographica Section D-Structural Biology

Potent and selective inhibition of pathogenic viruses by engineered ubiquitin variants

(2017) Wei Zhang et al.   PLoS Pathogens

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset

(2016) Michael R. Shirts et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds

(2015) Yahira M. Báez-Santos et al.   ANTIVIRAL RESEARCH

Interferon-Stimulated Genes: A Complex Web of Host Defenses

(2014) William M. Schneider et al.   Annual Review of Immunology

From SARS to MERS: crystallographic studies on coronaviral proteases enable antiviral drug design

(2014) Rolf Hilgenfeld   FEBS Journal

Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)

(2010) Martin B. Peters et al.   Journal of Chemical Theory and Computation

Deubiquitinating and Interferon Antagonism Activities of Coronavirus Papain-Like Proteases

(2010) M. A. Clementz et al.   JOURNAL OF VIROLOGY

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS