New 1,2,3-Triazole-Appended Bis-pyrazoles: Synthesis, Bioevaluation, and Molecular Docking

Abstract

The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14α-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.

Synthesis of Benzimidazole-1,2,4-triazole Derivatives as Potential Antifungal Agents Targeting 14α-Demethylase

“…Carbendazole, benomyl, and thiabendazole have been frequently used among them. − Triazoles, a type of heterocyclic molecule, are favored scaffolds in a variety of fields. Fluconazole, itraconazole, and voriconazole are antifungal medicines available for therapeutic use that contain 1,2,4-triazole fragments. − In recent years, many studies have been conducted on the antifungal activities of triazoles. − Antifungal drugs with benzimidazole and triazole structures and the chemical structure of the designed compounds are shown in Figure .…”

“… 21 − 24 In recent years, many studies have been conducted on the antifungal activities of triazoles. 25 − 28 Antifungal drugs with benzimidazole and triazole structures and the chemical structure of the designed compounds are shown in Figure 2 .…”

Exploring the synthetic potential of a g-C3N4·SO3H ionic liquid catalyst for one-pot synthesis of 1,1-dihomoarylmethane scaffolds via Knoevenagel–Michael reaction

“…1 represent a subset of bioactive drugs that incorporate 1,1-dihomoarylmethane scaffolds. [9][10][11][12][13][14] Among 1,1-dihomoarylmethane scaffolds, bis-dimedones, bis-cyclohexanediones, bis-pyrazoles, and bis-coumarins have attracted the attention of the scientic community due to their potential applications in different elds. [15][16][17] Dimedone and 1,3cyclohexanedione are both cyclic diketones having various applications in organic synthesis, analytical chemistry, materials science, metal detection, and medicinal chemistry.…”

Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids

“…To overcome the phenomenon of drug resistance developed by infectious agents, a new approach is conceived in the design of biomolecules endowed with high efficiency and low toxicity. − This concept is based on the combination of two or more bioactive molecules in order to produce new hybrid structures, retaining or not the properties of the starting molecules. ,− A single-molecule drug that acts on multiple targets is much more attractive in terms of therapeutic efficacy and economic efficiency. , Most significantly, molecular hybridization as a novel approach has proven to be very helpful in creating new drugs with increased and specific affinity. These hybrid drugs could be able to act on two or more targets as well as to reduce undesirable side effects.…”

“…To overcome the phenomenon of drug resistance developed by infectious agents, a new approach is conceived in the design of biomolecules endowed with high efficiency and low toxicity. 8 − 12 This concept is based on the combination of two or more bioactive molecules in order to produce new hybrid structures, retaining or not the properties of the starting molecules. 10 , 13 − 15 A single-molecule drug that acts on multiple targets is much more attractive in terms of therapeutic efficacy and economic efficiency.…”