Telaprevir is a potential drug for repurposing against SARS-CoV-2: computational and in vitro studies

First structure–activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: an endeavor on COVID-19 drug discovery

(2021) Sk. Abdul Amin et al.   MOLECULAR DIVERSITY

Systematic Search for SARS-CoV-2 Main Protease Inhibitors for Drug Repurposing: Ethacrynic Acid as a Potential Drug

(2021) Camilla Isgrò et al.   Viruses-Basel

Targeted design of drug binding sites in the main protease of SARS-CoV-2 reveals potential signatures of adaptation

(2021) Aditya K. Padhi et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Combined use of the hepatitis C drugs and amentoflavone could interfere with binding of the spike glycoprotein of SARS-CoV-2 to ACE2: the results of a molecular simulation study

(2021) Kateryna V. Miroshnychenko et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins

(2021) Ayman Abo Elmaaty et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture

(2021) Khushboo Bafna et al.   Cell Reports

Strong Inhibitory Activity and Action Modes of Synthetic Maslinic Acid Derivative on Highly Pathogenic Coronaviruses: COVID-19 Drug Candidate

(2021) Raya Soltane et al.   Pathogens

Accelerating COVID-19 Research Using Molecular Dynamics Simulation

(2021) Aditya K. Padhi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization

(2021) Ayman Abo Elmaaty et al.   MOLECULES

Bioassay-guided isolation of a new cytotoxic ceramide from Cyperus rotundus L.

(2021) Reham M. Samra et al.   SOUTH AFRICAN JOURNAL OF BOTANY

Bioactive Polyphenolic Compounds Showing Strong Antiviral Activities against Severe Acute Respiratory Syndrome Coronavirus 2

(2021) Ahmed Kandeil et al.   Pathogens

Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies

(2021) Ahmed A. Zaki et al.   Journal of Traditional and Complementary Medicine

Coronavirus puts drug repurposing on the fast track

(2020) Charlotte Harrison   NATURE BIOTECHNOLOGY

Remdesivir in adults with severe COVID-19: a randomised, double-blind, placebo-controlled, multicentre trial

(2020) Yeming Wang et al.   LANCET

Structural basis of receptor recognition by SARS-CoV-2

(2020) Jian Shang et al.   NATURE

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

Cathepsin L-selective inhibitors: A potentially promising treatment for COVID-19 patients

(2020) Tianxiao Liu et al.   PHARMACOLOGY & THERAPEUTICS

Middle East Respiratory Syndrome Coronavirus (MERS-CoV): State of the Science

(2020) Ahmed Mostafa et al.   Microorganisms

Malleability of the SARS-CoV-2 3CL Mpro active site cavity facilitates binding of clinical antivirals

(2020) Daniel W. Kneller et al.   STRUCTURE

Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease

(2020) Lifeng Fu et al.   Nature Communications

One Health in the context of coronavirus outbreaks: A systematic literature review

(2020) Dennis Schmiege et al.   One Health

High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistance

(2020) Aditya K. Padhi et al.   iScience

FDA-Approved Drugs with Potent In Vitro Antiviral Activity against Severe Acute Respiratory Syndrome Coronavirus 2

(2020) Ahmed Mostafa et al.   Pharmaceuticals

Drug Repurposing for Viral Infectious Diseases: How Far Are We?

(2018) Beatrice Mercorelli et al.   TRENDS IN MICROBIOLOGY

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data

(2017) Mahendra Awale et al.   Journal of Cheminformatics

Clinically Approved Ion Channel Inhibitors Close Gates for Hepatitis C Virus and Open Doors for Drug Repurposing in Infectious Viral Diseases

(2016) Thomas Pietschmann   JOURNAL OF VIROLOGY

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

(2014) David Gfeller et al.   NUCLEIC ACIDS RESEARCH

MK-7009, a Potent and Selective Inhibitor of Hepatitis C Virus NS3/4A Protease

(2009) N. J. Liverton et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

(2008) Santiago Vilar et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY