Challenging the Biginelli scaffold to surpass the first line antitubercular drugs: Mycobacterium tuberculosis thymidine monophosphate kinase (TMPKmt) inhibition activity and molecular modelling studies

Challenging the Biginelli scaffold to surpass the first line antitubercular drugs: Mycobacterium tuberculosis thymidine monophosphate kinase (TMPKmt) inhibition activity and molecular modelling studies

New Biginelli adducts were rationalised, via the introduction of selected anti-tubercular (TB) pharmacophores into the dihydropyrimidine (DHPM) ring of deoxythymidine monophosphate (dTMP), the natural substrate of Mycobacterium tuberculosis thymidine monophosphate kinase (TMPKmt). Repurposing was on...

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Bibliographic Details
Main Authors: Mai S. El-Shoukrofy, Amal Atta, Salwa Fahmy, Dharmarajan Sriram, Michael G. Shehat, Ibrahim M. Labouta, Mona A. Mahran
Format: Article
Language:English
Published: Taylor & Francis Group 2024-12-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
Tetrahydropyrimidine
Biginelli
antitubercular activity
Mycobacterium tuberculosis thymidine monophosphate kinase
molecular dynamics simulation
Online Access:https://www.tandfonline.com/doi/10.1080/14756366.2024.2386668
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https://www.tandfonline.com/doi/10.1080/14756366.2024.2386668

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