Unveiling the Antimicrobial Activities of Dicationic Carbazoles and Related Analogs Through Computational Docking

• DOI: 10.1166/asem.2020.2513
• Publication Date: 2020-01-06T23:53:39Z
• Authors: Anwesh Pandey; Rolly Yadav; Anamika Shukla; Anil Kumar Yadav
• Keywords: Docking (animal)

Computational docking is a globally used tool now-a-days in bioinformatics. All the drugs/ligands generate their effect only when they interact/bind with target molecule, here DNA. The potential can be identified by study of relative binding energies and preferential modes. Due to availability huge numbers such drugs/ligands; evaluation potency challenging task. In present work, carbazoles its derivatives were studied for DNA abilities using computational molecular docking. docked ligands had planar structures which allowed them adopt crescent shape thus minor groove was preferred most them. revealed that analogs followed same trend as thermal melting values. Also themselves bind at AT-rich regions selected sequences.