Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study

Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set

(2020) Karina B. Santos et al.   Journal of Chemical Information and Modeling

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

(2020) Canrong Wu et al.   Acta Pharmaceutica Sinica B

Of chloroquine and COVID-19

(2020) Franck Touret et al.   ANTIVIRAL RESEARCH

New insights on the antiviral effects of chloroquine against coronavirus: what to expect for COVID-19?

(2020) Christian A. Devaux et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Association of Treatment With Hydroxychloroquine or Azithromycin With In-Hospital Mortality in Patients With COVID-19 in New York State

(2020) Eli S. Rosenberg et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Potential anti-viral activity of approved repurposed drug against main protease of SARS-CoV-2: an in silico based approach

(2020) Saurov Mahanta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

How will country-based mitigation measures influence the course of the COVID-19 epidemic?

(2020) Roy M Anderson et al.   LANCET

Rapid Identification of Potential Inhibitors of SARS‐CoV‐2 Main Protease by Deep Docking of 1.3 Billion Compounds

(2020) Anh-Tien Ton et al.   Molecular Informatics

If the world fails to protect the economy, COVID-19 will damage health not just now but also in the future

(2020) Martin McKee et al.   NATURE MEDICINE

Observational Study of Hydroxychloroquine in Hospitalized Patients with Covid-19

(2020) Joshua Geleris et al.   NEW ENGLAND JOURNAL OF MEDICINE

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

(2020) Wenhao Dai et al.   SCIENCE

Clinical and microbiological effect of a combination of hydroxychloroquine and azithromycin in 80 COVID-19 patients with at least a six-day follow up: A pilot observational study

(2020) Philippe Gautret et al.   Travel Medicine and Infectious Disease

Network-based drug repurposing for novel coronavirus 2019-nCoV/SARS-CoV-2

(2020) Yadi Zhou et al.   Cell Discovery

Molecular Architect: A User-Friendly Workflow for Virtual Screening

(2020) Eduardo H. B. Maia et al.   ACS Omega

The FDA-approved drug ivermectin inhibits the replication of SARS-CoV-2 in vitro

(2020) Leon Caly et al.   ANTIVIRAL RESEARCH

Risk of reactivation or reinfection of novel coronavirus (COVID-19)

(2020) Javad Alizargar   JOURNAL OF THE FORMOSAN MEDICAL ASSOCIATION

Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach

(2020) Arun Bahadur Gurung et al.   LIFE SCIENCES

In silico studies on therapeutic agents for COVID-19: Drug repurposing approach

(2020) Bhumi Shah et al.   LIFE SCIENCES

Virtual screening and repurposing of FDA approved drugs against COVID-19 main protease

(2020) Mahmoud Kandeel et al.   LIFE SCIENCES

Candidate drugs against SARS-CoV-2 and COVID-19

(2020) Dwight L. McKee et al.   PHARMACOLOGICAL RESEARCH

CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction

(2018) Youjun Xu et al.   NUCLEIC ACIDS RESEARCH

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Coronaviruses — drug discovery and therapeutic options

(2016) Alimuddin Zumla et al.   NATURE REVIEWS DRUG DISCOVERY

A dynamic niching genetic algorithm strategy for docking highly flexible ligands

(2014) Camila Silva de Magalhães et al.   INFORMATION SCIENCES

Molecular Similarity in Medicinal Chemistry

(2013) Gerald Maggiora et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease

(2012) Jon Jacobs et al.   JOURNAL OF MEDICINAL CHEMISTRY

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

(2010) Paul C. D. Hawkins et al.   Journal of Chemical Information and Modeling

Variations in colistin susceptibility among different species of the genus Acinetobacter

(2009) A. Nemec et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY