Novel Thiadiazole-Based Molecules as Promising Inhibitors of Black Fungi and Pathogenic Bacteria: In Vitro Antimicrobial Evaluation and Molecular Docking Studies

Abstract

Novel 1,3,4-thiadiazole derivatives were synthesized through the reaction of methyl 2-(4-hydroxy-3-methoxybenzylidene) hydrazine-1-carbodithioate and the appropriate hydrazonoyl halides in the presence of a few drops of diisopropylethylamine. The chemical structure of the newly fabricated compounds was inferred from their microanalytical and spectral data. With the increase in microbial diseases, fungi remain a devastating threat to human health because of the resistance of microorganisms to antifungal drugs. COVID-19-associated pulmonary aspergillosis (CAPA) and COVID-19-associated mucormycosis (CAM) have higher mortality rates in many populations. The present study aimed to find new antifungal agents using the disc diffusion method, and minimal inhibitory concentration (MIC) values were estimated by the microdilution assay. An in vitro experiment of six synthesized chemical compounds exhibited antifungal activity against Rhizopus oryzae; compounds with an imidazole moiety, such as the compound 7, were documented to have energetic antibacterial, antifungal properties. As a result of these findings, this research suggests that the synthesized compounds could be an excellent choice for controlling black fungus diseases. Furthermore, a molecular docking study was achieved on the synthesized compounds, of which compounds 2, 6, and 7 showed the best interactions with the selected protein targets.

Design, synthetic approach,in silicomolecular docking and antibacterial activity of quinazolin-2,4-dione hybrids bearing bioactive scaffolds

“…They were cultivated in Mueller Hinton broth at 35 ± 2 °C for 24 h. The antimicrobial activity and MIC were performed as reported by Qader et al (2021). 2,27–36…”

Diverse Biological Activities of 1,3,4-Thiadiazole Scaffold

“…Further, to confirm the anti-fungal and anti-bacterial activity more clearly on the basis of receptor binding ability, molecular docking was also performed. Result of this research suggested that 38 compound can be considered as promising compound against pathogenic bacteria and fungus (especially black fungus) [59]. Kamel G.M et al reported seventeen new 1, 3,4-thiadiazole analogues and screened them for anti-microbial activity.…”

Mini Review on The Synthesis and Biological Impact of Thiazoles

“…[1][2][3] It was reported that thiazoles and their based molecules revealed promising wide spectrum of biological and pharmaceutical applications. [4][5]14], [6][7][8][9][10][11][12][13] Hantzsch and Weber had described thiazoles for the first time in 1887. [15] Thiazoles exhibited physical and chemical properties similar to pyrimidines and pyridines, although thiazole derivatives sometimes behave like furan and thiophene.…”