Synthesis, anticancer and molecular docking studies of new class of benzoisoxazolyl-piperidinyl-1, 2, 3-triazoles

Govindhan Muniyappan, Subramanian Kathavarayan, Chandrasekar Balachandran, Easwaramoorthi Kalliyappan, Sakkarapalayam M. Mahalingam, Abdul Ajees Abdul Salam, Shin Aoki, Natarajan Arumugam, Abdulrahman I. Almansour, Raju Suresh Kumar

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Abstract

A small library of hitherto unexplored novel 5-fluorobenzoisoxazolyl-piperidinyl-1, 2, 3-triazole derivatives has been synthesized from 2-azido-fluorobenzoisoxazolyl piperidinyl ethanone and various alkynes in good to excellent yields through a click chemistry approach. Compounds thus synthesized were evaluated for their cytotoxicity against HepG-2 and A549 cancer cells. Interestingly, compounds 4c, 4d, 4e and 4h displayed significant cytotoxicity against HepG-2 and A549 cancer cells. Toxicity study of active compounds was compared with human normal lung IMR-90 cells. Molecular docking has also been investigated for 4a-i with Chk1 protein and the compounds 4c and 4h displayed reasonable molecular interactions with good docking scores.

Original languageEnglish
JournalJournal of King Saud University - Science
DOIs
Publication statusAccepted/In press - 2020

All Science Journal Classification (ASJC) codes

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    Muniyappan, G., Kathavarayan, S., Balachandran, C., Kalliyappan, E., Mahalingam, S. M., Ajees Abdul Salam, A., Aoki, S., Arumugam, N., Almansour, A. I., & Suresh Kumar, R. (Accepted/In press). Synthesis, anticancer and molecular docking studies of new class of benzoisoxazolyl-piperidinyl-1, 2, 3-triazoles. Journal of King Saud University - Science. https://doi.org/10.1016/j.jksus.2020.09.012