Zinc(II) complexes bearing N,N,S ligands: Synthesis, crystal structure, spectroscopic analysis, molecular docking and biological investigations about its antifungal activity

Autor: Rafael A.C. Souza, Vito L. Cunha, Jonathan Henrique de Souza, Carlos H.G. Martins, Eduardo de F. Franca, Marcos Pivatto, Javier A. Ellena, Leandro A. Faustino, Antonio Otavio de T. Patrocinio, Victor M. Deflon, Pedro Ivo da S. Maia, Carolina G. Oliveira
Rok vydání: 2022
Předmět:
Zdroj: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
ISSN: 1873-3344
Popis: In the present work, the synthesis, characterization, antifungal activity, molecular docking study and in silico approach of five thiosemicarbazone derivatives and their corresponding zinc(II) complexes are described. The compounds were characterized by elemental analysis, IR, UV-Vis and NMR spectroscopic measurements, molar conductivity measurements, emission spectra, high-resolution mass spectrometry and X ray study. The antifungal activity of the free ligands and synthesized compounds was preliminarily evaluated against Candida albicans (ATCC 90028), Candida tropicalis (ATCC 13803) and Candida glabrata (ATCC 2001), by the minimum inhibitory concentration (MIC) assay. Two complexes, 4 (MIC = 3.18 to 6.37 μM) and 5 (MIC = 25.95 μM for all) showed promising results, being highly active against all strains evaluated. The X-ray analyses shown that the complex 2 crystallizes in the centrosymmetric space group P2
Databáze: OpenAIRE
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