Synthesis, docking and ADMET studies of novel chalcone triazoles for anti-cancer and anti-diabetic activity

European Journal of Medicinal Chemistry
Yakaiah ChinthalaParamjit Grover

Abstract

A series of novel chalcone-triazole derivatives were synthesized and screened for in vitro anticancer activity on the human cancer cell lines IMR32 (neuroblastoma), HepG2 (hepatoma) and MCF-7 (breast adenocarcinoma), DU-145 (prostate carcinoma), and A549 (lung adenocarcinoma). Among the tested compounds, 4r showed the most promising anticancer activity in all the cell lines whereas, compounds 4c (IC50 65.86 μM), 4e (IC50 66.28 μM), 4o (IC50 35.81 μM), 4q (IC50 50.82 μM) and 4s (IC50 48.63 μM) showed better activity than the standard doxorubicin (IC50 69.33 μM) in A549 cell line alone. Rat intestinal α-glucosidase inhibitory activity of the synthesized derivatives showed 4m (IC50 67.77 μM), 4p (IC50 74.94 in μM) and 4s (IC50 102.10 μM) as most active compared to others. The in silico docking of synthesized derivatives 4a-4t with DNA topoisomerase IIα revealed the LibDock score in the range of 71.2623-118.29 whereas, compounds 4h, 4m, 4p and 4s with docking target α-glucosidase were in the range of 100.372-107.784.

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Citations

Mar 26, 2016·European Journal of Medicinal Chemistry·Madasu ChandrashekharUppuluri Venkata Mallavadhani
Jul 6, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Ahmet ÖzdemirFatih Demirci
Sep 16, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Zipeng GongZhiyun Peng
Jul 26, 2018·Journal of Molecular Recognition : JMR·Farideh Badalkhani-KhamsehNasser L Hadipour
Nov 6, 2018·Journal of Enzyme Inhibition and Medicinal Chemistry·Kanyani SangpheakThanyada Rungrotmongkol
Mar 6, 2019·Current Topics in Medicinal Chemistry·Komal KalaniSantosh Kumar Srivastava
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Dec 16, 2019·European Journal of Medicinal Chemistry·Dana ElkhalifaAshraf Khalil
Jun 1, 2021·Future Journal of Pharmaceutical Sciences·Sachin KumarAkash Yadav
Jun 26, 2021·Journal of Enzyme Inhibition and Medicinal Chemistry·Hong-Yan GuoZhe-Shan Quan
Jul 27, 2021·Drug Design, Development and Therapy·Semere Welday KahssayKebede Taye Desta
Jun 23, 2020·ACS Omega·Hiram Hernández-LópezRodrigo Said Razo-Hernández
Aug 28, 2021·Biomolecules·Hiba A JasimSatyajit D Sarker
Dec 7, 2021·Frontiers in Chemistry·Xiang ZhangHongtao Xu

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