[HTML] nih.gov

[HTML][HTML] Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

C Shivanika, D Kumar, V Ragunathan… - … structure & dynamics, 2020 - ncbi.nlm.nih.gov
The study aims to evaluate the potency of two hundred natural antiviral phytocompounds
against the active site of the Severe Acquired Respiratory Syndrome-Coronavirus− 2 (SARS …
被引用次数：242 相关文章 所有 11 个版本
[HTML] nih.gov

The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic …

DA Abdelrheem, SA Ahmed… - … Science and Health …, 2020 - Taylor & Francis
This work aimed at evaluating the inhibitory effect of ten natural bioactive compounds (1–10)
as potential inhibitors of SARS-CoV-2-3CL main protease (PDB ID: 6LU7) and SARS-CoV …
被引用次数：55 相关文章 所有 12 个版本
[PDF] researchgate.net

Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease

M Ouassaf, S Belaidi, S Chtita, T Lanez… - Journal of …, 2022 - Taylor & Francis
Main protease (Mpro) of SARS-CoV-2 is a key CoV enzyme that plays a pivotal role in
mediating viral replication and transcription, making it an attractive drug target for SARS …
被引用次数：58 相关文章 所有 6 个版本
[HTML] nih.gov

Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations

R Singh, VK Bhardwaj, P Das, D Bhattacherjee… - Computers in Biology …, 2022 - Elsevier
Abstract Background The SARS-CoV-2 main protease (M pro) is an attractive target in the
COVID-19 drug development process. It catalyzes the polyprotein's translation from viral …
被引用次数：33 相关文章 所有 7 个版本
[HTML] nih.gov

Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies

S Gupta, AK Singh, PP Kushwaha… - Journal of …, 2021 - Taylor & Francis
Coronaviruses are contagious pathogens primarily responsible for respiratory and intestinal
infections. Research efforts to develop antiviral agents against coronavirus demonstrated …
被引用次数：177 相关文章 所有 12 个版本
[HTML] nih.gov

Structure-based identification of potential SARS-CoV-2 main protease inhibitors

S Khan, Z Fakhar, A Hussain, A Ahmad… - Journal of …, 2022 - Taylor & Francis
To address coronavirus disease (COVID-19), currently, no effective drug or vaccine is
available. In this regard, molecular modeling approaches are highly useful to discover …
被引用次数：45 相关文章 所有 10 个版本
[HTML] nih.gov

Identification of phytochemical inhibitors against main protease of COVID-19 using molecular modeling approaches

A Kumar, G Choudhir, SK Shukla… - Journal of …, 2021 - Taylor & Francis
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a novel corona virus that
causes corona virus disease 2019 (COVID-19). The COVID-19 rapidly spread across the …
被引用次数：231 相关文章 所有 12 个版本
[HTML] sciencedirect.com

[HTML][HTML] Molecular docking and dynamic simulations for antiviral compounds against SARS-CoV-2: A computational study

KA Peele, CP Durthi, T Srihansa, S Krupanidhi… - Informatics in medicine …, 2020 - Elsevier
The aim of this study was to develop an appropriate anti-viral drug against the SARS-CoV-2
virus. An immediately qualifying strategy would be to use existing powerful drugs from …
被引用次数：206 相关文章 所有 7 个版本
[HTML] nih.gov

Predictive modeling by deep learning, virtual screening and molecular dynamics study of natural compounds against SARS-CoV-2 main protease

T Joshi, T Joshi, H Pundir, P Sharma… - Journal of …, 2021 - Taylor & Francis
The whole world is facing a great challenging time due to Coronavirus disease (COVID-19)
caused by SARS-CoV-2. Globally, more than 14.6 M people have been diagnosed and …
被引用次数：48 相关文章 所有 7 个版本
[PDF] springer.com

Molecular docking, binding mode analysis, molecular dynamics, and prediction of ADMET/toxicity properties of selective potential antiviral agents against SARS-CoV …

H Rai, A Barik, YP Singh, A Suresh, L Singh, G Singh… - Molecular Diversity, 2021 - Springer
The importance of the main protease (M pro) enzyme of SARS-CoV-2 in the digestion of viral
polyproteins introduces M pro as an attractive drug target for antiviral drug design. This study …
被引用次数：52 相关文章 所有 11 个版本