Review on molecular docking analysis of herbal compounds and their activity against SARS and JEV using In-silico and In vitro approaches

Abstract

or computational methods play key role to design and develop new drugs and target proteins in the fields of pharmaceutics and biotechnology. Various methods like Homology modelling, Molecular docking, Monte Carlo simulation etc. are used in drug designing. In this review, we describe the different medicinal compounds which were screened by using computational methods and . Many of the natural herbal compounds have been found to be effective against in SARS CoV infection by inhibiting viral replication and nucleo-capsid protein. Similarly, compounds like Chemdiv-3, kaempferol, etc. have been studied for their action against JEV. In order to screen the thousands of compounds in library the predictions are the best tools to select the compound which has potential affinity to inhibit the JE infection. However, the experimental data also must require determining the activity of compound against specific target and the data obtained in the may not be reliable as compared to in-vitro or in-vivo. Variations are found between Computational and experimental data.