Sathish Kumar, R and Sankara Vel, V (2018) IN SILICO ANALYSIS OF MEDICINAL PLANTS AGAINST MYCOBACTERIUM TUBERCULOSIS (MTB). International Journal of Pharmacy and Biological Sciences, 8 (3). pp. 800-804. ISSN 2230-7605

[thumbnail of bioinfo 1 (Mtb).pdf] Text
bioinfo 1 (Mtb).pdf - Published Version
Download (606kB)

Abstract

Tuberculosis (TB) is a deadly infectious disease caused by the Mycobacterium tuberculosis (MTB). Tuberculosis mostly
affects the lungs at later stages it also affects other organs. The protein epoxide hydrolase plays a major role in drug metabolism as well as signal processing molecule and therefore has been targeted in the present study. The medicinal plants being a solution for several human ailments, also act as a reservoir for secondary metabolites, has taken its credit as a cure from our ancient times. The compounds reported earlier in the plants Solanum torvum, Piper longum, Morinda citrifolia, Cocos nucifera, Dissotis rotundifolia, Curcuma longa, Aloe vera, Ocimum basillicum, Centella asiatica and Dipterocarpus sublamelatous were analyzed for its possible significant interaction with the target protein using molecular docking studies.The compounds from the plants Solanum torvum, Piper longum, Morinda
citrifolia, Cocos nucifera, Dissotis rotundifolia, Curcuma longa, Aloe vera, Ocimum basillicum, Centella asiatica and
Dipterocarpus sublamelatous were analyzed using the molecular docking studies ADME-properties, drug-likeness
using the Schrodinger software.The docking results were observed which indicated that the compound catechin
scored significant G.score of -8.74 Kcal/mol among the other compounds tested. The interactions were observed with
amino acid residue tyrosine at two different positions 164 and 272, each of bond length of 2.1Å. The compound
Catechin had significant interaction with the target protein, could be further analyzed for stability using molecular dynamics study and in vitro. The future perspective of the study is to determine the stability of the protein-compound complex through dynamics studies.

Item Type: Article
Subjects:
Depositing User: Users 1 not found.
Date Deposited: 10 Dec 2021 05:52
Last Modified: 10 Dec 2021 05:52
URI: http://ir.psgcas.ac.in/id/eprint/153

Actions (login required)

View Item
View Item
Altmetric