Plant‐Based Mycetoma Inhibitors Targeting the 50S Ribosomal Protein of Nocardia brasiliensis : In Silico Approach

Abstract Mycetoma is a subcutaneous, potentially serious, and devastating chronic disease caused by aerobic actinomycetes (actinomycetoma) or fungi (eumycetoma). Nocardia species causes pulmonary, cutaneous, and subcutaneous human diseases, especially mycetoma, and the most commonly isolated species include Nocardia brasiliensis . Drug development to combat this illness is still in progress, although it is highly neglected, and most importantly, no vaccination is available for the disease. We used an in silico approach to screen a library of 1034 phytocompounds to obtain the most potent compound for the treatment of mycetoma. Parviflorone F is known for its antimalarial activity and enhanced protein stability upon binding, indicating efficient inhibition of the protein. The positional fluctuations of parviflorone F located inside the binding site were explored and the effect of binding on the dynamic stability of the protein was assessed. This study explored drug‐like phytocompounds with good inhibitory effects against the 50S ribosomal unit of N. brasiliensis , indicating that they can be used for the treatment of mycetoma after confirmation in in vitro and in vivo studies.