Molecular insights into Mmpl3 lead to the development of novel indole-2-carboxamides as antitubercular agents-Reference-Cited by-同舟云学术

Molecular insights into Mmpl3 lead to the development of novel indole-2-carboxamides as antitubercular agents

Published:2022 Issue:6 Volume:7 Page:592-606
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Ray Rajdeep¹^ORCID,Birangal Sumit Raosaheb¹^ORCID,Fathima Fajeelath¹^ORCID,Boshoff Helena I.²,Forbes He Eun²,Hariharapura Raghu Chandrashekhar³,Shenoy G. Gautham¹^ORCID

Affiliation:

1. Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal, Karnataka, India 576104

2. Tuberculosis Research Section, Laboratory of Clinical Immunology and Microbiology, National Institute of Allergy and Infectious Diseases, National Institutes of Health, Bethesda, MD 20892, USA

3. Department of Pharmaceutical Biotechnology, Manipal College of Pharmaceutical Sciences, Manipal, Karnataka, India 576104

Abstract

This work utilises high-end molecular modelling techniques to analyse a drug target with known inhibitors and design molecules based on it, subsequently leading to the development of novel antitubercular agents.

Funder

All India Council for Technical Education

Division of Intramural Research, National Institute of Allergy and Infectious Diseases

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2022/ME/D1ME00122A

Reference35 articles.

1. Gaining deeper insights into the surface binding of bedaquiline analogues with the ATP synthase subunit C of Mycobacterium tuberculosis using molecular docking, molecular dynamics simulation and 3D-QSAR techniques

2. Drug-induced Hepatotoxicity of Anti-tuberculosis Drugs and Their Serum Levels

3. Hepatotoxicity Related to Anti-tuberculosis Drugs: Mechanisms and Management

4. MmpL3 is a lipid transporter that binds trehalose monomycolate and phosphatidylethanolamine

5. MmpL3 Is the Cellular Target of the Antitubercular Pyrrole Derivative BM212

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A computational study to identify Sesamol derivatives as NRF2 activator for protection against drug-induced liver injury (DILI);Molecular Diversity;2023-07-01

2. A holistic molecular modelling approach to design novel indole-2-carboxamide derivatives as potential inhibitors of MmpL3;SAR and QSAR in Environmental Research;2022-07-03