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<p>In this study, for the first time, we have successfully synthesized a novel series of Indole chalcone amide-linked 1,4-disubstituted 1,2,3-triazoles <b>10a-10l</b>, employing the click chemistry approach in excellent yields. The synthesized triazole derivatives were evaluated for their anticancer activities against the human prostate cancer cell line PC-3 and human non-small cell lung cancer cell line A549, revealing promising biological potential. Among them, compound <b>10c</b> exhibited significant anticancer activity, with IC<sub>50</sub> values of 12.68 µM and 14.12 µM against PC-3 and A549 cell lines, respectively. Further, the most potent compounds <b>10a</b>, <b>10b</b>, and <b>10c</b> were screened for their VEGFR-2 inhibitory potency to realize the concealed mechanism of the anticancer effects. Furthermore, to rationalize the observed biological activity, molecular docking has been carried out to understand the binding affinity and binding interactions. This revealed a significant correlation between these compounds’ binding score and biological activity. The results of the In vitro and In silico studies suggest that the 1,2,3-Triazole-Indole-Chalcone conjugates derivatives could be the new ideal structural requirements for therapeutic development.</p>

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1,2,3-Triazole-indole-chalcone conjugates as VEGFR-2 tyrosine kinase inhibitors: in vitro & in silico study

  • 期刊论文

  • 发表日期：

    2026年5月26日

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  • Mininath K. Bhalmode,
  • Mubarak H. Shaikh,
  • Pradip R. Thorve,
  • Dipti D. More,
  • Krishna V. Lathi,
  • Shailee V. Tiwari,
  • Magdi E. A. Zaki,
  • Bapurao B. Shingate

摘要

In this study, for the first time, we have successfully synthesized a novel series of Indole chalcone amide-linked 1,4-disubstituted 1,2,3-triazoles 10a-10l, employing the click chemistry approach in excellent yields. The synthesized triazole derivatives were evaluated for their anticancer activities against the human prostate cancer cell line PC-3 and human non-small cell lung cancer cell line A549, revealing promising biological potential. Among them, compound 10c exhibited significant anticancer activity, with IC50 values of 12.68 µM and 14.12 µM against PC-3 and A549 cell lines, respectively. Further, the most potent compounds 10a, 10b, and 10c were screened for their VEGFR-2 inhibitory potency to realize the concealed mechanism of the anticancer effects. Furthermore, to rationalize the observed biological activity, molecular docking has been carried out to understand the binding affinity and binding interactions. This revealed a significant correlation between these compounds’ binding score and biological activity. The results of the In vitro and In silico studies suggest that the 1,2,3-Triazole-Indole-Chalcone conjugates derivatives could be the new ideal structural requirements for therapeutic development.