Abstract

Antimicrobial Resistance (AMR) has spread throughout the world and caused wellknown antibiotics to repeatedly fail to treat common infections. Staphylococcus aureus is a highly concerning pathogen among drug-resistant bacteria. It is the primary cause of life-threatening infections acquired in healthcare settings and the community, particularly those linked to implanted medical devices. The synthesis of lipoteichoic acid has been identified as a potential target for antibacterial treatment due to its essential functions in the proliferation and survival of Gram-positive bacteria. In this research work, we have employed secondary metabolites, particularly coumarins and iso-coumarins which are polyketides derived from endophytic fungi in the inhibition of Lipoteichoic acid synthase (LtaS) enzyme through molecular docking. The objective was to identify a potential drug candidate that could be used as an alternative to antibiotics in treating drug-resistant infections. Pestalustaine B displayed the highest docking score of -8.5 Kcal/mol out of the eleven polyketides that were examined. The ADMET study of Pestalustaine B and Pestalotiopisorin B revealed that both of these metabolites followed Lipinski's rule of five which is an important parameter while considering a compound as a drug candidate. Thus, polyketides indicated their potential as a drug candidate for addressing drug resistance.