In Silico Antibacterial Activity of Selected Active Compounds of Cherry Leaf (Muntingia calabura) to Staphylococcus aureus

Abstract

In addition to physical problems, acne caused by Staphylococcus aureus frequently leads to psychological problems as well. As a result, Treatment therapy using antibiotics in the long term and at inappropriate doses increases the rate of antibiotic resistance. Alternative treatments can be performed by using natural ingredients, such as cherry leaves (Muntingia calabura), which exhibit antibacterial properties. This study aimed to determine the active compound of M. calabura extract which has the potential as an antibacterial agent for S. aureus. The research was conducted in September 2022 at Universitas Negeri Surabaya. Using PyRx software, we carried out a molecular docking (blind docking) analysis. The drug-likeness test indicated stigmasterol, tetradecanoic acid, and dodecanoic acid, ethyl ester compounds met the criteria as medicinal compounds. The results of the molecular docking analysis showed that stigmasterol has a binding affinity of -7.8 kcal/mol better than other compounds and RMSD of 1.482 Å indicating its high potential. The three selected active compounds have the potential as antibacterial agents for S. aureus. The application of this product as a treatment for acne, however, requires further research.