In-Silico Pharmacokinetics and Molecular Docking Study of The Newly Designed Benzimidazole Derivatives as An Antiepileptic Agent

Abstract

The moiety benzimidazole exhibited a broad range of pharmacological activity. A molecular docking study is a valuable tool used in recent drug discovery to understand the possible interaction between medicines and receptors. Several benzimidazole derivatives are docked with the active site of human carbonic anhydrase isozyme-II (PDB code: 5LL4) to examine its anticonvulsant properties. The auto-dock Vina platform is used for molecular docking. The outcomes of molecular docking showed that compounds 1a, 1b, 1c, 1f, 1h, 1j, 2f, and 2g had excellent scores for docking and improved interactions with vital amino acids. Furthermore, SwissADME and pkCSM software are used to perform ADMET investigations and calculate physiochemical parameter values. The findings showed that all other study parameters including Lipinski's rule of five requirements are significantly satisfied by designed substituted benzimidazoles. According to the in-silico study's findings, all newly framed benzimidazole derivatives