Medicinal Plants Database and Three Dimensional Structure of the Chemical Compounds from Medicinal Plants in Indonesia

TL;DR

This paper presents the development of an online database containing 3D structures of chemical compounds from Indonesian medicinal plants to facilitate molecular docking and drug discovery research.

Contribution

It introduces a new MySQL-based database of 3D chemical structures from Indonesian medicinal plants accessible via the internet.

Findings

Database successfully implemented and accessible online.

Provides comprehensive 3D structural data for medicinal plant compounds.

Aims to accelerate pharmacological research and drug development.

Abstract

During this era of new drug designing, medicinal plants had become a very interesting object of further research. Pharmacology screening of active compound of medicinal plants would be time consuming and costly. Molecular docking is one of the in silico method which is more efficient compare to in vitro or in vivo method for its capability of finding the active compound in medicinal plants. In this method, three-dimensional structure becomes very important in the molecular docking methods, so we need a database that provides information on three-dimensional structures of chemical compounds from medicinal plants in Indonesia. Therefore, this study will prepare a database which provides information of the three dimensional structures of chemical compounds of medicinal plants. The database will be prepared by using MySQL format and is designed to be placed in http://herbaldb.farmasi.ui.ac.id website so that eventually this database can be accessed quickly and easily by users via the Internet.