Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1251, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2021.131937
Keywords
Urea derivatives; Pyrimidine-pyrazoles; Anticancer activity; Tubulin protein inhibitors; Molecular docking studies
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A series of novel urea derivatives of pyrimidine-pyrazole were designed and synthesized, showing promising anticancer activity by targeting tubulin. Molecular docking studies indicated that these compounds could interact effectively with the tubulin interface, suggesting their potential as tubulin inhibitors.
Designed and synthesized a series of novel urea derivatives of pyrimidine-pyrazole, and screened for their anticancer activity. Compounds with (3,5-dinitro and 3,4,5-trimethoxy) substitution were exhibited more potent cytotoxicity than standard Etoposide. Molecular docking studies suggested that compounds were well occupied at the colchicine binding site and interacted with alpha, beta-tubuline interface of x-ray crystal structure of (PDB:1SA0), which demonstrates that synthesized compounds are promising tubulin inhibitors. (C) 2021 Elsevier B.V. All rights reserved.
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