In Silico Designing And Admet Study Of 1,5-Benzodiazepine As An Antidepressants

Abstract

The study carried out in this research is based on selection of new scaffold for its effectiveness in treatment of
depression. The novel derivatives from the 1,5-Benzodiazepine class were selected. The selected series of 1,5-
Bnezodiazepines was then subjected for molecular docking studies on (PDB ID :3GWV). Most ligands show
van der Waals interaction with amino acids as well as Pi-Pi interactions with amino acid residues Phe494,
Arg487, Ilu491, Trp406 and Ala329. In silico ADME evaluations of compounds showed high GI absorption
and BBB permeability for all compounds. During in vitro Toxicity properties prediction the 1,5-
Benzodiazepines shows no Mutagenicity,Irrirtant and effect on reproductive system as compared to lead
Fluoxetine. The in silico bioavailability of the compounds was found to be 0.55.