1. Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M^Pro)

Khalil EL Khatabi , Ilham Aanouz, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine*

BioImpacts. 2022;12(2): 107-113. doi: 10.34172/bi.2021.22143

PMCID: PMC8905587 PMID: 35411302 Scopus ID: 85127183196

Article

PDF

Full Text

XML

Cited By:

Molecular docking was performed to explore the binding affinity of the 12 selected molecules in the target enzyme and then evaluated for in silico ADMET properties. The best hits were subjected to molecular dynamics simulation.

Submit Your Paper Instructions for Authors Aims and Scope Editorial Board Editorial Policies Publication Ethics Policies Editorial Board Policy Abstracting and Indexing Archive

As a peer-reviewed international open-access journal, BioImpacts publishes articles on basic and translational aspects of pharmaceutical and biomedical sciences.
Acceptance rate: 24%
Publication fee: Free of charge

Indexing/Abstracting Info
PubMed; PubMed Central; Scopus; Science Citation Index Expanded, Google Scholar; SJR ; Essential Science Indicators; Publons; Embase; EBSCOhost; CAS: DOAJ: SHERPA/RoMEO; Ulrich
Member of COPE
Follower of ICMJE
Permission: Creative Commons

1. Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (MPro)

1. Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M^Pro)