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Original Research

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

Khalil EL Khatabi ORCID, Ilham Aanouz, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine* ORCID
BioImpacts. 2022;12(2): 107-113. doi: 10.34172/bi.2021.22143
PMCID: PMC8905587     PMID: 35411302     Scopus ID: 85127183196    
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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.
Original Research

2. Graph theoretical network analysis, in silico exploration, and validation of bioactive compounds from Cynodon dactylon as potential neuroprotective agents against α-synuclein

Raja Rajeswari Rajeshkumar ORCID, Banoth Karan Kumar ORCID, Pavadai Parasuraman ORCID, Theivendren Panneerselvam ORCID, Krishnan Sundar ORCID, Damodar Nayak Ammunje ORCID, Sureshbabu Ram Kumar Pandian ORCID, Sankaranarayanan Murugesan ORCID, Shanmugampillai Jeyarajaguru Kabilan ORCID, Selvaraj Kunjiappan*
BioImpacts. 2022;12(6): 487-499. doi: 10.34172/bi.2022.24113
PMCID: PMC9809135     PMID: 36644543     Scopus ID: 85143350606    
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The bioactive compounds from Cynodon dactylon potentially degrade the α-Syn aggregation in the brain through in silico molecular docking investigations. A molecular dynamics simulation confirms the stability of the α-Syn-ligand complex.

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