Study of The Potential Compound on Leaves of Syzygium samarangense as An Antibacterial to Streptococcus pneumoniae

Abstract

Pneumonia is one of the respiratory infections caused by Streptococcus pneumoniae. Bacterial resistance problems regarding the treatment of pneumonia can be overcome by exploring active compounds in plants that have potential as antibacterials, one of which is water guava (Syzygium samarangense). This study aims to discover active compounds with the antibacterial potential of S. pneumoniae from water guava leaves (S. samarangense). This study was conducted in September 2022 at Universitas Negeri Surabaya with in silico method (blind molecular docking). The method used in this study was in silico approach, including the collection of proteins and compounds, preparation of proteins and ligands, minimization of compounds, blind molecular docking, and visualization of the results of molecular docking. The results showed that the value of binding affinity and RMSD of PBP-2X protein (PDB ID: 1QME) which binds to 1-methyl ethyl acetate, valeraldehyde, and dibutyl phthalate was -5.6 KJ/mol and 2.575 Å, -5 KJ/mol and 1.373 Å, and -6.7 KJ/mol and 1.637 Å, respectively. The result indicates that the selected compounds have the potential as antibacterial to S. pneumoniae. In the near future, this study requires further in vitro and in vivo testing as a step to validate the activity of the active compound of guava leaves as an antibacterial of S. pneumoniae.