DESIGN AND SYNTHESIS OF NOVEL PYRIMIDINE ANALOGS AS ANTI-TUBERCULAR AGENTS TARGETING THYMIDINE KINASE DOMAIN

Authors

  • Jainey P. James
  • Jane B Mathew Nitte (Deemed to be University)
  • Bhat K. Ishwar
  • Pankaj Kumar
  • T.C Aiswarya

DOI:

https://doi.org/10.15414/jmbfs.1744

Keywords:

Pyrimidines, Molecular docking, Thymidine kinase, Antitubercular activity

Abstract

The inhibition of the enzyme TMP kinase (TMPKmt), is hypothesized as a significant therapy for tuberculosis. A series of designed pyrimidines were synthesized to inhibit the enzyme TMPKmt and evaluated for their enzyme-ligand interactions, antitubercular, physiochemical and ADMET properties. The pyrimidines were synthesized from chalcones and guanidine as the cyclizing agent. The molecular interactions were studied by Autodock 4.0 and physicochemical, druglikeness and ADMET properties were analysed by Molinspiration, Chemsketch program and admetSAR prediction  tools. The confirmation of the synthesized titled compound’s structures was by spectral analysis. Also, they were screened for their antitubercular activity. In silico studies reports that their physicochemical, ADMET and druglikeness properties were found to be in standard limit, which infers that, these compounds may not have problems with oral bioavailability. Molecular docking studies showed that the pyrimidines have better enzyme inhibitory activity onTMPKmt.

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Published

2021-10-01

How to Cite

James, J. P. ., Mathew, J. B., Ishwar, . B. K., Kumar, P. ., & Aiswarya, . T. (2021). DESIGN AND SYNTHESIS OF NOVEL PYRIMIDINE ANALOGS AS ANTI-TUBERCULAR AGENTS TARGETING THYMIDINE KINASE DOMAIN. Journal of Microbiology, Biotechnology and Food Sciences, 11(2), e1744. https://doi.org/10.15414/jmbfs.1744

Issue

Section

Biotechnology
Received 2019-05-30
Accepted 2021-04-16
Online Published 2021-10-01