In silico Design and Synthesis of Tetrahydropyrimidinones and Tetrahydropyrimidinethiones as Potential Thymidylate Kinase Inhibitors Exerting Anti-TB Activity Against Mycobacterium tuberculosis.

Katharigatta Narayanaswamy Venugopala Christophe Tratrat Melendhran Pillay Sandeep ChandrashekharappaOmar Husham Ahmed Al-AttraqchiBandar E Al-Dhubiab Mahesh V Attimarad Osama I Alwassil Anroop Balachandran Nair Sreeharsha Nagaraja Rashmi Venugopala Mohamed A Morsy Micheline HarounHezekiel M KumaloBharti Odhav Koleka P Mlisana

Published in: Drug design, development and therapy (2020)

Pyrimidinone 1a and pyrimidinethione 2a were identified as the leading compounds and can serve as a starting point to develop novel anti-TB therapeutic agents.

Keyphrases

mycobacterium tuberculosis
pulmonary tuberculosis
molecular docking
risk assessment
human health