Fast identification of possible drug treatment of coronavirus disease-19 (COVID-19) through computational drug repurposing study

J Wang - Journal of chemical information and modeling, 2020 - ACS Publications
The recent outbreak of novel coronavirus disease-19 (COVID-19) calls for and welcomes
possible treatment strategies using drugs on the market. It is very efficient to apply computer …

[HTML][HTML] Drug repurposing approach against novel coronavirus disease (COVID-19) through virtual screening targeting SARS-CoV-2 main protease

KH Chowdhury, MR Chowdhury, S Mahmud, AM Tareq… - Biology, 2021 - mdpi.com
Abstract Novel coronavirus disease (COVID-19) was identified from China in December
2019 and spread rapidly through human-to-human transmission, affecting so many people …

In-silico drug repurposing and molecular dynamics puzzled out potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman… - Journal of biomolecular …, 2021 - Taylor & Francis
Herein, the DrugBank database which contains 10,036 approved and investigational drugs
was explored deeply for potential drugs that target SARS-CoV-2 main protease (Mpro) …

Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target

KG Arun, CS Sharanya, J Abhithaj… - Journal of …, 2021 - Taylor & Francis
Since its first report in December 2019 from China, the COVID-19 pandemic caused by the
beta-coronavirus SARS-CoV-2 has spread at an alarming pace infecting about 5.59 million …

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel In Silico Method

M Sencanski, V Perovic, SB Pajovic, M Adzic… - Molecules, 2020 - mdpi.com
The SARS-CoV-2 outbreak caused an unprecedented global public health threat, having a
high transmission rate with currently no drugs or vaccines approved. An alternative powerful …

In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking

CN Cavasotto, JI Di Filippo - Molecular informatics, 2021 - Wiley Online Library
In December 2019, an infectious disease caused by the coronavirus SARS‐CoV‐2
appeared in Wuhan, China. This disease (COVID‐19) spread rapidly worldwide, and on …

Predictive modeling and therapeutic repurposing of natural compounds against the receptor-binding domain of SARS-CoV-2

MK Yadav, S Ahmad, K Raza, S Kumar… - Journal of …, 2023 - Taylor & Francis
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a member of the
Coronaviridae family, causing major destructions to human life directly and indirectly to the …

Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study

S Banerjee, S Yadav, S Banerjee… - Journal of chemical …, 2021 - ACS Publications
COVID-19, an acute viral pneumonia, has emerged as a devastating pandemic. Drug
repurposing allows researchers to find different indications of FDA-approved or …

In silico evaluation of prospective anti-COVID-19 drug candidates as potential SARS-CoV-2 main protease inhibitors

MAA Ibrahim, AHM Abdelrahman, KS Allemailem… - The Protein …, 2021 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a recently emanating
human infectious coronavirus that causes COVID-19 disease. On 11th March 2020, it has …

Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro)

S Koulgi, V Jani, M Uppuladinne… - Journal of …, 2021 - Taylor & Francis
The COVID-19 pandemic has been responsible for several deaths worldwide. The causative
agent behind this disease is the Severe Acute Respiratory Syndrome–novel Coronavirus 2 …