Journal of Biodiversity, Bioprospecting and Development

ISSN: 2376-0214

Open Access

Tailored-pharmacophore model to enhance virtual screening and drug discovery: A case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl- ACP dehydratase


Kgothatso E Machaba

Background: Virtual Screening (VS) is powerful tool in discovering molecular inhibitors which are most likely to bind to drug targets of interest. Herein, we introduce a novel VS approach, so-called ??? tailored-pharmacophore???, in order to explore inhibitors that overcome drug resistance. Results/Methodology: The emergence and spread of drug resistance strains of tuberculosis is one of the most critical issues in health care. A tailored-pharmacophore approach was found promising to identify in silico predicted hit with better binding affinities in case of the resistance mutations in MtbHadAB as compared to thiacetazone, a prodrug used in the clinical treatment of TB. Conclusions: This approach can potentially be enforced for the discovery and design of drugs against a wide range of resistance targets.

Share this article

50+ Million Readerbase

Recommended Conferences

Journal Highlights

Google Scholar citation report
Citations: 9022

Journal of Biodiversity, Bioprospecting and Development received 9022 citations as per Google Scholar report

Journal of Biodiversity, Bioprospecting and Development peer review process verified at publons

Indexed In

Recommended Conferences
arrow_upward arrow_upward