In Silico Study of Bioactive Compound from Sungkai Leaves (Peronema canescens Jack) as Natural Inhibitor of 16-S rRNA
Year: 2025
Type: article
Abstract: The rise of antibiotic-resistant bacteria has become a pressing global concern, leading to increased morbidity and mortality from infections that were once easily treatable. As these bacteria evolve and adapt, traditional methods of inhibition are becoming less effective, necessitating the development of innovative approaches to combat bacterial infections. One significant target of many antibiotics is the ribosomal RNA, specifically the 16S rRNA component of the bacterial ribosome, which inhibits protein synthesis. Every plant species is unique, as it can produce structurally different intermediates and metabolites, known as secondary metabolites, which protect against bacterial infections. The study is supplemented by considering reports of additional properties that may have potential applications in structure-activity relationships (SAR) research for the development of therapeutic drugs, as well as bioactivity radars related to the drug-like behaviour of the studied compounds. Based on the results of the sungkai (Peronema canescens Jack) bioavailability and toxicity test, followed by molecular docking against 16-S RNA, the test ligand SMR000036195 is considered safe, with a binding energy of 8.86 kcal/mol, compared to S-Adenosyl-D-homocysteine (8.47 kcal/mol). It can be concluded that SMR000036195 can serve as an alternative inhibitor of 16S rRNA, replacing S-adenosyl-L-homocysteine as a substrate for 16S rRNA inhibition.
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4415138131
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