Exploring Structure–Activity Relationship of Antibacterial Heterocyclic Compound, IITR00803

Abstract

Antimicrobial resistance (AMR) is a major global health issue that emphasises the critical need for the development of new antibiotics. In this study, the antibacterial scaffold IITR00803 has been investigated using medicinal chemistry approaches to better understand its structure-activity relationship (SAR). Structural modifications, such as chain contraction and the introduction of bioisosters, were used to investigate the effects of key functional groups on the antibacterial activity of IITR00803. In the antibacterial studies across different bacterial strains, compounds 1f and 3 showed better activity. Further, studies on the ring-chain tautomerism have been performed and IITR00803 was found to exist in the chain tautomer, i.e, compound 1f. Overall, this work provides insight into the SAR of the IITR00803 scaffold and highlights its potential for further optimisation in the development of new antibacterial agents to combat AMR.