Schiff Bases Derived from 2-Hydroxy and 2-Methoxy Naphthaldehyde:Exploration of In Silico Docking, DNA Cleavage, Antibacterial Activitiesand SAR

Abstract

Antibacterial activities, molecular docking and DNA cleavage activities of five structurally related Schiff bases were performed and their structure activity relationship was studied. Antibacterial activities of these compounds against gram-negative and gram-positive bacteria were evaluated by using well diffusion method and the molecule 1-[(E)-(4- hydroxyphenyl)iminomethyl]naphthalene-2-ol which carries two hydroxyl functional groups was observed as one of the most dynamic antibacterial agents. The antibacterial activities of this molecule was compared with an earlier research work and concluded that the antimicrobial activities of these Schiff base analogues can be improved by introducing OH groups in their core structure. Docking interactions were investigated against p55blk kinase protein. The compound 1-[(E)-(3-nitrophenyl)iminomethyl]naphthalene-2-ol exhibited good docking proficiency with 24 interactions based on statistical potentials and the compound (E)-1-(2-methoxy-1-naphthyl)-N-(3-nitro phenyl)methanimine showed significant docking interaction based on hydrogen bonding. DNA cleavage efficiency of all the Schiff bases was investigated using Lambda DNA by gel electrophoresis method.