Bioactive Compound of Sungkai Leaves (Peronema canescens Jack) As Natural Inhibitor of Beta-Lactamase: In Silico Study

Bacterial diseases have become a difficult challenge to the world's health, capable of causing a wide variety of infections that can lead to severe health complications and even death. The main method used to treat bacterial infections is generally antibiotics. Still, many bacteria have developed mechanisms to counteract the effects of existing antibiotics, making effective treatment of bacterial infections increasingly difficult. One common resistance is resistance to commercial beta-lactam. To counter this challenge, the development of alternative treatments for bacterial infections has begun to emerge, especially through approaches to plant secondary metabolites. This natural compound has shown promising antibacterial properties. The study is supplemented by considering the report of some additional properties of potential application in structure-activity relationships (SAR) research for the development of therapeutic drugs and the bioactivity radars related to the drug-like behavior of the studied compounds. Based on the results of the Sungkai (Peronema canescens Jack) bioavailability and toxicity test followed by molecular docking against beta-lactamase, the test ligand SMR000036195 is considered safe and had binding energy above avibactam (8.91 kcal/mol vs. 7.03 kcal/mol). It can be concluded that SMR000036195 can be an alternative inhibitor of beta-lactamase, replacing avibactam as a commercial inhibitor.