A novel class of 1,4-disubstituted 1,2,3-triazoles: Regioselective synthesis, antimicrobial activity and molecular docking studies

Autor: Chennakesava Rao Kella, Chandrasekar Balachandran, Yuvaraj Arun, Easwaramoorthi Kaliyappan, Sakkarapalayam M. Mahalingam, Savarimuthu Ignacimuthu, Natarajan Arumugam, Abdulrahman I. Almansour, Raju Suresh Kumar, Paramasivan T. Perumal
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: Arabian Journal of Chemistry, Vol 13, Iss 12, Pp 9047-9057 (2020)
Druh dokumentu: article
ISSN: 1878-5352
DOI: 10.1016/j.arabjc.2020.10.026
Popis: A Novel class of 1,4-disubstituted 1,2,3-triazoles have been synthesized in good to excellent yields via Cu(I) accelerated azide-alkyne click chemistry reaction strategy. The newly synthesized compounds were assessed for their in vitro antimicrobial activity against five Gram-positive, seven Gram-negative bacteria and three fungi. Most of the synthesized compounds displayed significant activity against the tested Gram-positive and Gram-negative bacteria. Molecular docking study revealed that all docked compounds are bound efficiently with the active site of Topoisomerase IV (4EMV) receptor with the observed the free energy of binding from −7.79 to −9.44 kcal/mol. Interestingly, compound 13a forms four hydrogen bonds and displayed high binding energy (−9.44 kcal/mol) with the Topoisomerase IV (4EMV) receptor which correlated with their in vitro antimicrobial assays.
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