Synthesis, antiproliferative screening, and molecular docking of some heterocycles derived from N-(1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-hydrazineyl-3-oxoprop-1-en-2-yl)benzamide
Eman A. E. El-Helw, Youssef M. Youssef, Galal A. Elsayed, Amira A. El-Sayed, Aya I. Hassaballah, Ashraf M. Mohamed, Mohammad E. Azab
TL;DR
This paper reports the synthesis and testing of new heterocyclic compounds with potential as cancer treatments, showing selective toxicity and promising docking results.
Contribution
The study introduces novel heterocyclic compounds with antiproliferative activity and potential CDK2 inhibition, supported by molecular docking.
Findings
Compounds 5, 8, 9, and 10 showed significant cytotoxic activity against HCT-116 and MCF-7 cancer cell lines.
Compound 9 had a superior docking score (-9.5080 kcal/mol) compared to doxorubicin and RRC.
Molecular docking suggested these compounds may act as CDK2 inhibitors with binding profiles similar to known drugs.
Abstract
The hydrazide derivative synthesized from oxazolone was employed as a key building block for the preparation of various N-acetyl, N-benzoyl, imidazole, tetrazine, pyrazole, and pyrazolopyrazole compounds. These target heterocycles were obtained by reacting the hydrazide with several carbon-based electrophilic reagents, including chloroacetyl chloride, benzoyl chloride, acetic anhydride, carbon disulfide, and pyrazole aldehyde. The synthesized compounds were evaluated for their antiproliferative activity against colon (HCT-116) and breast (MCF-7) cancer cell lines, which implied the more selective toxicity of these derivatives toward cancer cell lines rather than normal cell line (WI-38), signifying the safety of the tested compounds. Biological screening results demonstrated that compounds 5, 8, 9, and 10 exhibited significant cytotoxic activity against both cell lines. Among molecular…
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Taxonomy
TopicsSynthesis and biological activity · Synthesis of Tetrazole Derivatives · Multicomponent Synthesis of Heterocycles