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Current Pharmaceutical Design

Author(s): Sana Gul, Ruqaiya Khalil, Zaheer Ul-Haq* and Mohammad S. Mubarak*

DOI: 10.2174/1381612826666200403114152

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Computational Overview of Mycobacterial Thymidine Monophosphate Kinase

Page: [1676 - 1681] Pages: 6

  • * (Excluding Mailing and Handling)

Abstract

Tuberculosis (TB) ranks among the diseases with the highest morbidity rate with significantly high prevalence in developing countries. Globally, tuberculosis poses the most substantial burden of mortality. Further, a partially treated tuberculosis patient is worse than untreated; they may lead to standing out as a critical obstacle to global tuberculosis control. The emergence of multi-drug resistant (MDR) and extremely drug-resistant (XDR) strains, and co-infection of HIV further worsen the situation. The present review article discusses validated targets of the bacterial enzyme thymidine monophosphate kinase (TMPK). TMPKMTB enzyme belongs to the nucleoside monophosphate kinases (NMPKs) family. It is involved in phosphorylation of TMP to TDP, and TDP is phosphorylated to TTP. This review highlights structure elucidation of TMP enzymes and their inhibitors study on TMP scaffold, and it also discusses different techniques; including molecular docking, virtual screening, 3DPharmacophore, QSAR for finding anti-tubercular agents.

Keywords: Tuberculosis, QSAR, docking, pharmacophore, crystal, SAR.

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