Virtual Screening of Secondary Metabolites of Fungi to Combat Anti-Microbial Resistance of Superbug MRSA (Methicillin-Resistant Staphylococcus Aureus)

Infectious disease are a health problem today and have high mortality rates with a wide diversity of potentially pathogenic microorganisms. Research that is based on the search for new drugs from fungal sources on the improvement of disease cure. From this perspective, use of in silico studies to carry out investigations of new molecules potentially active for MRSA (Methicillin-resistant Staphylococcus aureus) using a MeFSAT database with 1830 secondary metabolites. MeFSAT is a curated natural product database specific to secondary metabolites of medicinal fungi. Fungi are a rich source of secondary metabolites with several pharmacological activities such as antifungal, antibacterial, antioxidant, and anticancer to a name few. Basidiomycetes-derived secondary metabolites are known as a promising source of anti-bacterial compounds with activity against Gram-positive bacteria. One of the key culprits for the AMR crisis is Staphylococcus aureus causing community-acquired infections as the pathogen develops resistance towards multiple anti-biotic. In this study, the crystal structure of wild-type (1mwt) and mutant (4cpk) from MRSA consider as the target protein. The 1830 fungal metabolites are considered ligands for molecular docking studies. The compounds with the best binding affinity with wild-type and mutant are Phellinstatin, Phelligridimer, Ganoderchochlearin A and Phelligridimer, Inonotusol F, and Pardinol A subsequently.