Bioinformatics Approaches to Natural Product Discovery

Introduction: Bioinformatics is a multi-disciplinary field that usually uses approaches in Computer Science such as algorithms and machine learning to solve problems the domains of Biology, Biochemistry, other involving molecular biology data. This approach can also be used screen natural products have certain properties. Jamu or Indonesian herbal medicine works with principle multi-component multi-target. focuses on complex interactions system components describe how multi-components (compounds) work together affect multi-targets (protein targets). mechanism popularly called Network Pharmacology. In this study, we introduce workflow compounds based Pharmacology approach. Methods: The starts by screening for proteins an important role relation disease. was conducted applying clustering utilizing network topological features which were represented graphs [1]. Furthermore, performed enrichment analysis integrating protein-protein interaction Gene Ontology (GO) covering biological processes, functions, cellular into k-partite graph analyzing them using soft method [2]. From results analysis, determined are really relevant disease [3]. Next, from these screened proteins, built predictive models compound-protein drug data collected DrugBank SuperTarget databases train deep methods [4]. model then predict HerbalDB database ( http://herbaldb.farmasi.ui.ac.id/v3/ ) IJAH Analytics. Results: To demonstrate effectiveness workflow, applied it analize some diseases, hyperinflamation Covid-19 obesity. We found several potential plants Andrographis paniculata (Sambiloto) reduce inflammatory effect Murraya (Kemuning) activate Brown Adipose Tissue (BAT) has treat Certainly all requires proof through vitro, vivo, clinical trials. implemented processes Analytics application. Some finding plant formulas specific protein targets; otherwise looking efficacy combinations compounds. addition, visualize pharmacological networks plants-compound-protein-diseases. available public at https://ijah.apps.cs.ipb.ac.id free. Conclusion: study shows bioinformatics pharmacology discovering Indonesia’s biodiversity. Analytics, although still refinement stage, alternative application support researchers products.