Novel purine-linked 1,2,3-triazole derivatives as effective anticancer agents: design, synthesis, docking, DFT, and ADME-T investigations

Novel purine-linked 1,2,3-triazole derivatives as effective anticancer agents: design, synthesis, docking, DFT, and ADME-T investigations

Abstract The elaboration of a new family of purine molecules bearing triazole-acetamide units is presented. The structure assigned to such molecules was verified by various techniques, including FT-IR, NMR (1H/13C), and HRMS analysis. The anticancer activity of the resulting compounds was evaluated...

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Main Authors: Khaja Mohiddin Shaik, Komala Pandurangan, Tejeswara Rao Allaka, Seshadri Nalla, Srinivas Ganta, Mohammad Z. Ahmed, Srinivasadesikan Venkatesan, Pilli Veera Venkata Nanda Kishore
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Purine
1,23-triazole
Anti-proliferative activity
DFT
Docking interactions
ADME-T
Online Access:https://doi.org/10.1038/s41598-025-95669-5
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https://doi.org/10.1038/s41598-025-95669-5

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