Home | Articles
Published on:June 2018
Indian Journal of Pharmaceutical Education and Research, Submitted; 52(4):691-698
Original Article | doi:10.5530/ijper.52.4.80

Identification of a New Potential Reductase Inhibitor as an Anti-Tubercular Agent for Enoyl-Acp Reductase Inha Gene of Mycobacterium tuberculosis in Comparison with PT70 (5-Hexyl-2-(2-Methylphenoxy) Phenol)


Authors and affiliation (s):

Nishant Kumar Soni*, Chandan Kumar Verma

Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh, INDIA-462003.

Abstract:

Bacterium Mycobacterium tuberculosis is the causative agent for the disease tuberculosis (TB) and is responsible for more than ten million different infections with an additional accountability for about two million deaths every year. PT70 molecule as described in the literature acts as a drug in the market, which has been utilized as a curative agent for the disease. However, for these commercialized anti-tuberculotic drugs the causative agent that is Mycobacterium tuberculosis is becoming drug resistant in a progressive manner. Therefore, to combat the metabolic activity of the bacteria there is a need for a potent drug that could be subjected to cure TB. The present study deals with the perspective of designing a novel inhibitor as an anti-tuberculotic agent for which PT70 has been taken as a base molecule, which is henceforth used in molecular docking with the target INHA gene, and as a result, the process observed a binding energy as -10.133. Comparative molecules were selected based on the process of pharmacophore modeling which were then docked with the receptor molecule. On concluding remarks, top five molecules were prioritized on the bases of their binding energy (highest as -10.881) as compared to the PT70 molecule. Therefore, all such molecules selected will be taken as drug like molecules in future, which can be used for inhibiting the INHA gene. The aforementioned five molecules passed that ADMET analysis, membrane permeability test, pKa, and density function theory.

Key words: Anti-tuberculotic, PT70, Pharmacophore, Binding energy, Membrane Permeability, Drug discovery.

 

Articles in PDF, ePUB and Full text are attached to this page. In order to download, print or access these formats you must be logged in.
CAPTCHA
This question is for testing whether you are a human visitor and to prevent automated spam submissions.
5 + 3 =
Solve this simple math problem and enter the result. E.g. for 1+3, enter 4.




 

User login

CAPTCHA
This question is for testing whether you are a human visitor and to prevent automated spam submissions.
2 + 1 =
Solve this simple math problem and enter the result. E.g. for 1+3, enter 4.

The Official Journal of Association of Pharmaceutical Teachers of India (APTI)
(Registered under Registration of Societies Act XXI of 1860 No. 122 of 1966-1967, Lucknow)

Indian Journal of Pharmaceutical Education and Research (IJPER) [ISSN-0019-5464] is the official journal of Association of Pharmaceutical Teachers of India (APTI) and is being published since 1967.

DOI HISTORY

IJPER uses reference linking service using Digital Object Identifiers (DOI) by Crossref. Articles from the year 2013 are being assigned DOIs for its permanent URLs