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Original Research
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    
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
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    
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.