Journal of Pharmacognosy and Phytochemistry
Vol. 7, Special Issue 6 (2018)
In silico docking and drug design of herbal ligands for anticancer property
Sandeep Waghulde, MK Kale and VR Patil
<em>In silico </em>approaches have been widely recognized to be useful for drug discovery. Here, we consider the significance of available databases of medicinal plants and chemo and bioinformatics tools for <em>in silico</em> drug discovery beyond the traditional use of medicines. Whereas computational methods for molecular design are well established in medicinal chemistry research, their application in the field of natural products is still not exhaustively explored. The challenge is which selection criteria and/or multiple filtering tools to apply for a target-oriented isolation of potentially. The amount of available data on the biological activity of the investigated compounds (including herbal medicines) and the number of target macromolecules related to their therapeutic effects increase every year. At the same time, the pool of data on compositions of medicinal plants has also increased. Therefore, the need for use of <em>in silico</em> methods to determine the biological activity of medicinal plants is obvious. <em>In-silico</em> studies are done to identify the exact target of the drug. Which finds a drug for the particular binding site and final stage animal testing can be done for obtaining a conform result. Specific software on a computer allows researchers to analyze enormous data without actually conducting a large number of experiments. It helps to give the existing information to model disease pathway and identifies precise targets of the selected drugs. Later stage in vivo and in vitro studies can be done for obtaining the confirmatory result.
Pages: 84-91 | 2575 Views 740 Downloads
Sandeep Waghulde, MK Kale and VR Patil. In silico docking and drug design of herbal ligands for anticancer property
. J Pharmacogn Phytochem 2018;7(6S):84-91. DOI: 10.22271/phyto.2018.v7.isp6.1.19