In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease

In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease

Developing a safe and effective antiviral treatment takes a decade, however, when it comes to the coronavirus disease (COVID-19), time is a sensitive matter to slow the spread of the pandemic. Screening approved antiviral drugs against COVID-19 would speed the process of finding therapeutic treatmen...

Full description

Bibliographic Details
Main Authors:	Ibrahim Khater, Aaya Nassar
Format:	Article
Language:	English
Published:	Elsevier 2021-09-01
Series:	Biochemistry and Biophysics Reports
Subjects:	Coronavirus treatment Remdesivir Mycophenolic acid acyl glucuronide Molecular docking Anti-protease drugs
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405580821001266

Similar Items

Identification of potential COVID-19 main protease inhibitors using structure-based pharmacophore approach, molecular docking and repurposing studies
by: Daoud Safa, et al.
Published: (2021-06-01)

Molecular Docking of Novel 5-O-benzoylpinostrobin Derivatives as SARS-CoV-2 Main Protease Inhibitors
by: Mohammad Rizki Fadhil Pratama, et al.
Published: (2020-11-01)

Comparison of PETINIA and LC-MS/MS for determining plasma mycophenolic acid concentrations in Japanese lung transplant recipients
by: Masafumi Kikuchi, et al.
Published: (2018-04-01)

Development and validation of an ultra-performance liquid chromatography mass spectrometry/mass spectrometry method for simultaneous quantification of total and free mycophenolic acid and its metabolites in human plasma
by: Napatsanan Tanathitiphuwarat, et al.
Published: (2020-01-01)

In-silico study MM/GBSA binding free energy and molecular dynamics simulation of some designed remdesivir derivatives as the inhibitory potential of SARS-CoV-2 main protease
by: Maryam Abbasi, et al.
Published: (2024-01-01)

In Silico Testing of Some Protected Galactopyranose as SARS-CoV-2 Main Protease Inhibitors
by: Abul K.M.S. Azad, et al.
Published: (2022-10-01)

In silico Study of Antiviral Activity of Polyphenol Compounds from Ocimum basilicum by Molecular Docking, ADMET, and Drug-Likeness Analysis
by: Kurnia D, et al.
Published: (2023-04-01)

In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
by: Yogesh Kumar, et al.
Published: (2020-09-01)

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)

Computational Screening of Phenylamino-Phenoxy-Quinoline Derivatives against the Main Protease of SARS-CoV-2 Using Molecular Docking and the ONIOM Method
by: Suwicha Patnin, et al.
Published: (2022-03-01)

Comparative In-Silico Molecular Docking of Silymarin for SARS-CoV-2 Receptor
by: Michael Antony Samy Amutha Gnana Arasi, et al.
Published: (2022-06-01)

In Silico Insights into the SARS CoV-2 Main Protease Suggest NADH Endogenous Defences in the Control of the Pandemic Coronavirus Infection
by: Annamaria Martorana, et al.
Published: (2020-07-01)

Repurposed drug molecules targeting NSP12 protein of SARS-CoV-2: An in-silico study
by: Bhawna Sharma, et al.
Published: (2023-12-01)

In silico identification of drug candidates against COVID-19
by: Yifei Wu, et al.
Published: (2020-01-01)

Identification of possible SARS-CoV-2 main protease inhibitors: in silico molecular docking and dynamic simulation studies
by: Aniruddhya Mukherjee, et al.
Published: (2023-07-01)

Aminoglycosides as potential inhibitors of SARS-CoV-2 main protease: an in silico drug repurposing study on FDA-approved antiviral and anti-infection agents
by: Mohammad Z. Ahmed, et al.
Published: (2021-05-01)

In Silico Evaluation of Iranian Medicinal Plant Phytoconstituents as Inhibitors against Main Protease and the Receptor-Binding Domain of SARS-CoV-2
by: Seyyed Sasan Mousavi, et al.
Published: (2021-09-01)

Statins and the COVID-19 main protease: in silico evidence on direct interaction
by: Željko Reiner, et al.
Published: (2020-04-01)

Repurposing Antiviral Protease Inhibitors Using Extracellular Vesicles for Potential Therapy of COVID-19
by: Santosh Kumar, et al.
Published: (2020-04-01)

In silico screening of antiviral compounds from Moringa oleifera for inhibition of SARS-CoV-2 main protease
by: Bala Mohan Sivani, et al.
Published: (2021-01-01)

Potential antiviral peptides targeting the SARS-CoV-2 spike protein
by: Ibrahim Khater, et al.
Published: (2022-12-01)

A computational peptide model induces cancer cells’ apoptosis by docking Kringle 5 to GRP78
by: Ibrahim Khater, et al.
Published: (2023-08-01)

Hordatines as a Potential Inhibitor of COVID-19 Main Protease and RNA Polymerase: An In-Silico Approach
by: Mohammed A. Dahab, et al.
Published: (2020-10-01)

Computational Screening of Repurposed Drugs Targeting Sars-Cov-2 Main Protease By Molecular Docking
by: Yow Hui Yin, et al.
Published: (2022-09-01)

Systematic Search for SARS-CoV-2 Main Protease Inhibitors for Drug Repurposing: Ethacrynic Acid as a Potential Drug
by: Camilla Isgrò, et al.
Published: (2021-01-01)

Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro Enzymatic Activity Assay
by: Eleni Pitsillou, et al.
Published: (2020-12-01)

The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals
by: Fenghua Wang, et al.
Published: (2022-02-01)

Towards potential inhibitors of COVID-19 main protease Mpro by virtual screening and molecular docking study
by: Moujane Soumia, et al.
Published: (2020-01-01)

Comparison of COVID-19 Virus Main Protease Inhibition Activities of Phenolic Acids By Molecular Docking
by: Razie Sabet, et al.
Published: (2021-06-01)

In Silico Drug Repurposing of Penicillins to Target Main Protease Mpro of SARS-CoV-2
by: Baby Krishnaprasad, et al.
Published: (2020-11-01)

Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
by: Vishakha Grover, et al.
Published: (2022-01-01)

Rational Discovery of Antiviral Whey Protein-Derived Small Peptides Targeting the SARS-CoV-2 Main Protease
by: Nicola Gambacorta, et al.
Published: (2022-05-01)

Molecular docking analysis of peptide-based antiviral agents against SARS-CoV-2 main protease: an approach towards drug repurposing
by: Abhishek Chaurasiya, et al.
Published: (2023-02-01)

Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular docking and drug repurposing approach
by: Purushothaman Indu, et al.
Published: (2020-12-01)

A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease
by: Eslam B. Elkaeed, et al.
Published: (2022-07-01)

Mushroom-derived bioactive compounds potentially serve as the inhibitors of SARS-CoV-2 main protease: An in silico approach
by: Panthakarn Rangsinth, et al.
Published: (2021-03-01)

Evaluation of therapeutic potentials of some bioactive compounds in selected African plants targeting main protease (Mpro) in SARS-CoV-2: a molecular docking study
by: Ishola Abeeb Akinwumi, et al.
Published: (2023-12-01)

Evaluation of Potential Anti-Hepatitis A Virus 3C Protease Inhibitors Using Molecular Docking
by: Reina Sasaki-Tanaka, et al.
Published: (2022-05-01)

Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease
by: Eslam B. Elkaeed, et al.
Published: (2022-06-01)

In silico method potential therapeutic use of Janus Kinase inhibitors as severe acute respiratory syndrome coronavirus 2 main protease inhibitors
by: Shankar Gharge, et al.
Published: (2023-01-01)