Antioxidant and Antimicrobial Activities of 4H‐Chromene Based Indole‐Pyrimidine Hybrids: Synthesis and Molecular Docking Studies

Abstract

A series of 4H‐Chromene Based Indole – Pyrimidine Hybrids synthesized using simple and efficient multicomponent reaction. The title molecules were evaluated for their invitro antioxidant and antimicrobial activities. Compounds 8g containing bromo substituted naphthalene displayed potent antioxidant activity with IC50 value of 1.09±0.34 µM and 1.10±0.36 µM. Compound 10a, a 4‐methylphenyl derivative presented potent activity with antioxidant activity with IC50 value of 1.29±0.35 µM and 1.43±0.38 µM. Subsequently, compounds 8a, 8b, 8d and 10g had shown prominent percentage of inhibition and derived effective IC50 values in comparison to reference drug Ascorbic Acid. The invitro antimicrobial activity carried out against two gram positive and two gram‐negative bacteria, and two fungal strains using Ampicillin and Itraconazole as refence drugs. Compound 10f exhibited exceptional efficacy against all types of bacterial and fungal strains compared to Ampicillin and Itraconazole, compounds 8e and 8g showed activity against bacterial strains whereas compound 10g exhibited the most effective zone of inhibition against fungal strains. The molecular docking study against crystal structure of NADPH oxidase obtained supporting docking scores and showed notable binding interactions such as H‐bond and hydrophobic.