1. 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 , Banoth Karan Kumar , Pavadai Parasuraman , Theivendren Panneerselvam , Krishnan Sundar , Damodar Nayak Ammunje , Sureshbabu Ram Kumar Pandian , Sankaranarayanan Murugesan , Shanmugampillai Jeyarajaguru Kabilan , 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.

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