An Insilico Evaluation of Indole Benzimidazole Scaffolds as Antimicrobial and Anticancer Agents

Author(s)	Jibin Joy, Dr. Rakesh Kumar Jat
Country	India
Abstract	In-silico molecular modeling and ADME prediction of proposed Indole-benz-imidazole derivatives using softwares such as Molinspiration and PreADMET Software respectively. This helped to determine the drug likeness properties and various pharmacokinetic properties of proposed derivatives. These analogues undergone molecular docking studies with the help of Schrodinger Software. The ligands docked with bacterial, fungal and anticancer enzyme like DNA Gyrase subunit B (PDB ID: 3U2K), Lanosterol 14α-Demethylase 9 (PDB ID: 5TZ1) and Human Estrogen Receptor alpha (PDB ID: 1A52) respectively. From the obtained docking scores, it was found that the derivatives have good docking score than the standard drugs, of this the derivative JJ2 [2-(5-methyl-1H-indol-3-yl)-1H-benz-imidazole] have most promising action as antimicrobial and anticancer activity
Keywords	Insilico molecular modeling, ADME, benzimidazole, indole
Field	Medical / Pharmacy
Published In	Volume 7, Issue 1, January-February 2025
Published On	2025-02-08
DOI	https://doi.org/10.36948/ijfmr.2025.v07i01.36686
Short DOI	https://doi.org/g84d9n

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