Introduction to Plant Metabolism, Secondary Metabolites Biosynthetic Pathway, and In-Silico Molecular Docking for Determination of Plant Medicinal Compounds: An Overview
Year: 2022
Type: conference-paper
Abstract: Natural ingredient produced by plants are widely used for therapeutic treatment, because they are believed to have fewer side effects and are cheaper than synthetic drugs.Plants used as treatment media contain natural secondary metabolites compounds derived from primary and secondary metabolism.Primary metabolism is the basic stage in the formation of complex molecules in plant medicinal products, while secondary metabolism form more advanced products in synthesize the phytochemicals.Plant secondary metabolites involved three chemically basic group of compounds: terpenoids, phenolics, and alkaloids.Biosynthetic pathways of secondary metabolites are conducted through the Shikimic-acid, Malonic-acid, Mevalonic-acid, and Methylerythritol-phosphate pathway.Glucose is the main molecule for the metabolism of these secondary metabolites.This paper discuss about the plant metabolism process, biosynthetic pathway of primary and secondary metabolite products, column chromatography techniques for identification, screening, and analysis of secondary metabolites, and in-silico molecular docking procedures to determining 3D protein structures, predicting target proteins, and validating ligan-compound interactions in medicinal plants.The qualitative review was carried out by analyzing the literature references books, research results of indexed journals from Scopus, Google Scholar, Research Gate, and software computational tools of in-silico methods, including PubChem, Protein Data Bank (PDB), PyMol, AutoDock Vina, BLAST.Determination and development of plant medicinal compounds can be started by learning the plant physiology and metabolic process, biosynthesis pathway and degradation of metabolite products, extraction and separation methods using chromatography, and in-silico molecular docking, includes the process of protein and ligand preparation, molecular docking study, drug like-ness and toxicity prediction.In-silico procedures are used for discovering and developing the actions of unknown secondary metabolites by identification their molecular targets using bioinformatics and chemoinformatics characteristics along with the biological system.
Institution: State University of Malang
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: hybrid
Funder: Universitas Negeri Malang
OpenAlex ID: W4285166551