Proceedings of the 7th International Conference on Biological Science (ICBS 2021)

Introduction to Plant Metabolism, Secondary Metabolites Biosynthetic Pathway, and In-Silico Molecular Docking for Determination of Plant Medicinal Compounds: An Overview

Authors
Risanti Dhaniaputri1, Hadi Suwono2, *, Mohamad Amin3, Betty Lukiati4
1Doctoral Program of Biology Education, Faculty of Mathematics and Science (Universitas Negeri Malang, Jl. Cakrawala 5, Malang City, East Java, Indonesia 65145)
2,3,4Department of Biology, Faculty of Mathematics and Science (Universitas Negeri Malang, Jl. Cakrawala 5, Malang City, East Java, Indonesia 65145)
*Corresponding author. Email: hadi.suwono.fmipa@um.ac.id
Corresponding Author
Hadi Suwono
Available Online 2 May 2022.
DOI
10.2991/absr.k.220406.053How to use a DOI?
Keywords
In-silico molecular docking; Plant metabolism; Secondary metabolites
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.

Copyright
© 2022 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article distributed under the CC BY-NC 4.0 license.

Download article (PDF)

Volume Title
Proceedings of the 7th International Conference on Biological Science (ICBS 2021)
Series
Advances in Biological Sciences Research
Publication Date
2 May 2022
ISBN
10.2991/absr.k.220406.053
ISSN
2468-5747
DOI
10.2991/absr.k.220406.053How to use a DOI?
Copyright
© 2022 The Authors. Published by Atlantis Press International B.V.
Open Access
This is an open access article distributed under the CC BY-NC 4.0 license.

Cite this article

TY  - CONF
AU  - Risanti Dhaniaputri
AU  - Hadi Suwono
AU  - Mohamad Amin
AU  - Betty Lukiati
PY  - 2022
DA  - 2022/05/02
TI  - Introduction to Plant Metabolism, Secondary Metabolites Biosynthetic Pathway, and In-Silico Molecular Docking for Determination of Plant Medicinal Compounds: An Overview
BT  - Proceedings of the 7th International Conference on Biological Science (ICBS 2021)
PB  - Atlantis Press
SP  - 373
EP  - 382
SN  - 2468-5747
UR  - https://doi.org/10.2991/absr.k.220406.053
DO  - 10.2991/absr.k.220406.053
ID  - Dhaniaputri2022
ER  -