Computational screening for potential drug candidates against the SARS-CoV-2 main protease [version 2; peer review: 2 approved]

Computational screening for potential drug candidates against the SARS-CoV-2 main protease [version 2; peer review: 2 approved]

Background: SARS-CoV-2 is the causal agent of the current coronavirus disease 2019 (COVID-19) pandemic. They are enveloped, positive-sense, single-stranded RNA viruses of the Coronaviridae family. Proteases of SARS-CoV-2 are necessary for viral replication, structural assembly, and pathogenicity. Th...

Full description

Bibliographic Details
Main Authors:	Bruno Silva Andrade, Preetam Ghosh, Debmalya Barh, Sandeep Tiwari, Raner José Santana Silva, Wagner Rodrigues de Assis Soares, Tarcisio Silva Melo, Andria Santos Freitas, Patrícia González-Grande, Lucas Sousa Palmeira, Luiz Carlos Junior Alcantara, Marta Giovanetti, Aristóteles Góes-Neto, Vasco Ariston de Carvalho Azevedo
Format:	Article
Language:	English
Published:	F1000 Research Ltd 2020-12-01
Series:	F1000Research
Online Access:	https://f1000research.com/articles/9-514/v2

Similar Items

Potential chimeric peptides to block the SARS-CoV-2 spike receptor-binding domain [version 1; peer review: 2 approved]
by: Debmalya Barh, et al.
Published: (2020-06-01)

The Spike of SARS-CoV-2: Uniqueness and Applications
by: Ranjith Kumavath, et al.
Published: (2021-07-01)

Current Trends in Experimental and Computational Approaches to Combat Antimicrobial Resistance
by: Madangchanok Imchen, et al.
Published: (2020-11-01)

16S rRNA Gene Amplicon Based Metagenomic Signatures of Rhizobiome Community in Rice Field During Various Growth Stages
by: Madangchanok Imchen, et al.
Published: (2019-09-01)

Anticancer and Antiviral Properties of Cardiac Glycosides: A Review to Explore the Mechanism of Actions
by: Dhanasekhar Reddy, et al.
Published: (2020-08-01)

Repurposing Approved Drugs for Guiding COVID-19 Prophylaxis: A Systematic Review
by: Bruno Silva Andrade, et al.
Published: (2020-12-01)

An In Silico Identification of Common Putative Vaccine Candidates against Treponema pallidum: A Reverse Vaccinology and Subtractive Genomics Based Approach
by: Arun Kumar Jaiswal, et al.
Published: (2017-02-01)

Two-Component Signal Transduction Systems of Pathogenic Bacteria As Targets for Antimicrobial Therapy: An Overview
by: Sandeep Tiwari, et al.
Published: (2017-10-01)

Long-COVID and Post-COVID Health Complications: An Up-to-Date Review on Clinical Conditions and Their Possible Molecular Mechanisms
by: Bruno Silva Andrade, et al.
Published: (2021-04-01)

Searching for signatures across microbial communities: Metagenomic analysis of soil samples from mangrove and other ecosystems
by: Madangchanok Imchen, et al.
Published: (2017-08-01)

Emergence of Cardiac Glycosides as Potential Drugs: Current and Future Scope for Cancer Therapeutics
by: Ranjith Kumavath, et al.
Published: (2021-08-01)

<em>Piper betel</em> Compounds Piperidine, Eugenyl Acetate, and Chlorogenic Acid Are Broad-Spectrum Anti-<em>Vibrio</em> Compounds that Are Also Effective on MDR Strains of the Pathogen
by: Erika Acosta-Smith, et al.
Published: (2019-05-01)

Determining causal miRNAs and their signaling cascade in diseases using an influence diffusion model
by: Joseph J. Nalluri, et al.
Published: (2017-08-01)

In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus
by: Phaedra Eleftheriou, et al.
Published: (2020-05-01)

Targeting the nsp2 Cysteine Protease of Chikungunya Virus Using FDA Approved Library and Selected Cysteine Protease Inhibitors
by: Prateek Kumar, et al.
Published: (2019-08-01)

Extraction, purification, and activity of protease from the leaves of Moringa oleifera [version 1; referees: 2 approved, 1 approved with reservations]
by: Swarnali Banik, et al.
Published: (2018-07-01)

Evaluation of the Common Molecular Basis in Alzheimer’s and Parkinson’s Diseases
by: Pratip Rana, et al.
Published: (2019-07-01)

BARHL1 Is Downregulated in Alzheimer’s Disease and May Regulate Cognitive Functions through ESR1 and Multiple Pathways
by: Debmalya Barh, et al.
Published: (2017-09-01)

Pluripotency of Wolbachia against Arboviruses: the case of yellow fever [version 2; peer review: 2 approved]
by: Marcele Neves Rocha, et al.
Published: (2019-04-01)

A putative antiviral role of plant cytidine deaminases [version 2; referees: 2 approved]
by: Susana Martín, et al.
Published: (2017-06-01)

Automated Wormscan [version 2; referees: 2 approved, 1 approved with reservations]
by: Timothy Puckering, et al.
Published: (2017-09-01)

Genomic Characterization of Multidrug-Resistant Escherichia coli BH100 Sub-strains
by: Rodrigo Carvalho, et al.
Published: (2021-01-01)

General guidelines for biomedical software development [version 2; referees: 2 approved]
by: Luis Bastiao Silva, et al.
Published: (2017-07-01)

A very simple, re-executable neuroimaging publication [version 2; referees: 1 approved, 2 approved with reservations]
by: Satrajit S. Ghosh, et al.
Published: (2017-06-01)

Repurposing clinically approved drugs for COVID-19 treatment targeting SARS-CoV-2 papain-like protease
by: Chen, K., et al.
Published: (2021)

In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease
by: Ibrahim Khater, et al.
Published: (2021-09-01)

A hands-on introduction to querying evolutionary relationships across multiple data sources using SPARQL [version 2; peer review: 1 approved, 2 approved with reservations]
by: Ana Claudia Sima, et al.
Published: (2020-07-01)

The future of metabolomics in ELIXIR [version 2; referees: 2 approved, 1 approved with reservations]
by: Merlijn van Rijswijk, et al.
Published: (2017-10-01)

Case Report: Isolated Lingual Dystonia [version 2; peer review: 2 approved, 2 approved with reservations]
by: Zaland Ahmed Yousafzai, et al.
Published: (2021-01-01)

Cellular agriculture in the UK: a review [version 2; peer review: 2 approved, 2 approved with reservations]
by: Neil Stephens, et al.
Published: (2020-10-01)

eXamine: Visualizing annotated networks in Cytoscape [version 2; referees: 2 approved, 2 approved with reservations]
by: Philipp Spohr, et al.
Published: (2018-07-01)

Functional proteomic profiling reveals KLK13 and TMPRSS11D as active proteases in the lower female reproductive tract [version 2; referees: 2 approved]
by: Carla M.J. Muytjens, et al.
Published: (2018-12-01)

Detecting proliferation of adult hemocytes in Drosophila by BrdU incorporation and PH3 expression in response to bacterial infection [version 2; referees: 2 approved, 1 not approved]
by: Saikat Ghosh, et al.
Published: (2018-08-01)

miReg: a resource for microRNA regulation
by: Barh Debmalya, et al.
Published: (2010-03-01)

miReg: a resource for microRNA regulation
by: Barh Debmalya, et al.
Published: (2010-03-01)

Silent myelin-weighted magnetic resonance imaging [version 2; peer review: 2 approved, 2 approved with reservations]
by: Tobias C. Wood, et al.
Published: (2020-08-01)

Enhancing gene set enrichment using networks [version 2; peer review: 2 approved, 2 approved with reservations]
by: Michael Prummer
Published: (2019-07-01)

Neuromodulation influences synchronization and intrinsic read-out [version 2; referees: 2 approved, 1 approved with reservations, 1 not approved]
by: Gabriele Scheler
Published: (2018-12-01)

Novel hybrid antiviral VTRRT-13V2.1 against SARS-CoV2 main protease: retro-combinatorial synthesis and molecular dynamics analysis
by: Vishvanath Tiwari
Published: (2020-10-01)

TCGA Workflow: Analyze cancer genomics and epigenomics data using Bioconductor packages [version 2; referees: 1 approved, 2 approved with reservations]
by: Tiago C. Silva, et al.
Published: (2016-12-01)