Synthesis, Antitubercular Activity, and Molecular Docking Studies of Novel 2-(4-Chlorobenzylamino)-4-(cyclohexylmethylamino)-pyrimidine-5-carboxamides
- Authors: Srinu B.1, Parameshwar R.2, Kali Charan G.1, Srinivas E.1, Koteswara Rao C.P.1, Narendra Sharath Chandra J.N.2, Naresh Varma S.1
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Affiliations:
- Department of Chemistry
- Department of Pharmaceutical Chemistry
- Issue: Vol 89, No 4 (2019)
- Pages: 836-843
- Section: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222884
- DOI: https://doi.org/10.1134/S1070363219040327
- ID: 222884
Cite item
Abstract
A novel series of 2-(4-chlorobenzylamino)-4-(cyclohexylmethylamino)-pyrimidine-5-carboxamide derivatives are synthesized and their structures are confirmed by 1H and 13C NMR, and MS spectral data. The compounds are screened for their antitubercular activity, and those with aryl moiety 7o, 7q, and 7r demonstrate potent activity against Mycobacterium tuberculosis. Docking studies suggest a mode of interaction of the products with the binding site of enoyl-CoA hydratase demonstrating that the target compounds were potential anti-TB agents.
About the authors
B. Srinu
Department of Chemistry
Email: nareshvarma.klu@gmail.com
India, Vaddeswaram, Guntur, 522502
R. Parameshwar
Department of Pharmaceutical Chemistry
Email: nareshvarma.klu@gmail.com
India, Hyderabad, 501506
G. Kali Charan
Department of Chemistry
Email: nareshvarma.klu@gmail.com
India, Vaddeswaram, Guntur, 522502
E. Srinivas
Department of Chemistry
Email: nareshvarma.klu@gmail.com
India, Vaddeswaram, Guntur, 522502
Ch. P. Koteswara Rao
Department of Chemistry
Email: nareshvarma.klu@gmail.com
India, Vaddeswaram, Guntur, 522502
J. N. Narendra Sharath Chandra
Department of Pharmaceutical Chemistry
Email: nareshvarma.klu@gmail.com
India, Maharashtra, 431129
S. Naresh Varma
Department of Chemistry
Author for correspondence.
Email: nareshvarma.klu@gmail.com
India, Vaddeswaram, Guntur, 522502