Lonidamine-1,3,4-oxadiazole derivatives with antiproliferative effects on HCT116 colon cancer cell lines: biological evaluation, ADMET, and computational studies
Raveendra Madhukar Bhat, A. N. Priyadarshini, M. S. Sudhanva, Gangadhar V. Muddapur, Kawthar Alhussieni, Raman Kumar K, Rangappa S. Keri
TL;DR
Researchers designed and tested new lonidamine-oxadiazole compounds, finding one that strongly inhibits colon cancer cells and shows potential for further development as a cancer therapy.
Contribution
The study introduces novel lonidamine-1,3,4-oxadiazole derivatives with promising antiproliferative activity against colon cancer cells.
Findings
Compound 7d showed the lowest IC50 value of 12.91 ± 1.58 µM, indicating strong antiproliferative effects.
Compound 7d induces apoptosis and reduces cell migration in HCT116 colon cancer cells.
ADMET and computational studies support the drug-like properties and mechanisms of action of compound 7d.
Abstract
In recent years, cancer has emerged as a significant challenge for healthcare systems, posing challenges to researchers to develop new treatments. Among various cancers, colorectal cancer is a major cause of death worldwide. To develop novel compounds that strongly inhibit colon cancer cells, lonidamine-1,3,4-oxadiazole derivatives 7(a–h) were designed and synthesized. The prepared compounds were characterized by various spectral techniques, including NMR (1H and 13C), mass spectra, and HPLC. Cytotoxicity tests conducted on a colorectal cancer cell line indicated that compound (7d) demonstrated significant antiproliferative effects, achieving the lowest IC50 value of 12.91 ± 1.58 µM, thereby making it the most effective among the compounds tested. This compound induces apoptosis, as evidenced by Hoechst/PI double staining, and mitigates cell migration, demonstrating its…
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Taxonomy
TopicsSynthesis and biological activity · Computational Drug Discovery Methods · Quinazolinone synthesis and applications