Universidade de Vila Velha, Departamento de Farmácia, Programa de Pós-Graduação em Ciências Farmacêuticas, Av. Comissário José Dantas de Melo, 21, Vila Velha, Espírito Santo State, 29102-770, Brazil.
Universidade de Vila Velha, Programa de Pós-Graduação em Biotecnologia Vegetal, Av. Comissário José Dantas de Melo, 21, Vila Velha, Espírito Santo State, 29102-770, Brazil.
Future Med Chem. 2024;16(18):1883-1897. doi: 10.1080/17568919.2024.2385292. Epub 2024 Aug 19.
The design, synthesis, docking studies and evaluation of the antifungal and cytotoxic properties of eugenol (EUG) containing 1,2,3-triazole derivatives are reported. Most of the derivatives have not been reported. The EUG derivatives were synthesized, molecular docked and tested for their antifungal activity. The compounds showed potent antifungal activity against , associated with dermatophytosis. Compounds and exhibited promising results, with being four-times more potent than EUG. The binding mode prediction was similar to itraconazole in the lanosterol-14-α-demethylase wild-type and G73E mutant binding sites. Additionally, the pharmacokinetic profile prediction suggests good gastrointestinal absorption and potential oral administration. Compound is a promising antifungal agent against dermatophytosis caused by .
报告了含丁香酚（EUG）的 1,2,3-三唑衍生物的设计、合成、对接研究和抗真菌及细胞毒性评价。大多数衍生物尚未报道。合成了 EUG 衍生物，进行了分子对接，并测试了它们的抗真菌活性。这些化合物对引起皮肤癣菌病的显示出很强的抗真菌活性。化合物 和 表现出有希望的结果，化合物 比 EUG 强四倍。结合模式预测与角鲨烯-14-α-去甲基酶野生型和 G73E 突变结合位点中的伊曲康唑相似。此外，药代动力学特征预测表明具有良好的胃肠道吸收和潜在的口服给药。化合物 是一种有前途的抗真菌剂，可用于治疗由 引起的皮肤癣菌病。
