1,2,4-Triazole is a very important scaffold in medicinal chemistry due to the wide spectrum of biological activities and mainly antifungal activity of 1,2,4-triazole derivatives. The main mechanism of antifungal action of the latter is inhibition of 14-alpha-demethylase enzyme (CYP51). The current study presents synthesis and evaluation of eight triazole derivatives for their antimicrobial activity. Docking studies to elucidate the mechanism of action were also performed. The designed compounds were synthesized using classical methods of organic synthesis. The in vivo evaluation of antimicrobial activity was performed by microdilution method. All tested compounds showed good antibacterial activity with MIC and MBC values ranging from 0.0002 to 0.0069 mM. Compound 2 h appeared to be the most active among all tested with MIC at 0.0002–0.0033 mM and MBC at 0.0004–0.0033 mM followed by compounds 2f and 2g. The most sensitive bacterium appeared to be Xanthomonas campestris while Erwinia amylovora was the most resistant. The evaluation of antifungal activity revealed that all compounds showed good antifungal activity with MIC values ranging from 0.02 mM to 0.52 mM and MFC from 0.03 mM to 0.52 mM better than reference drugs ketoconazole (MIC and MFC values at 0.28–1.88 mM and 0.38 mM to 2.82 mM respectively) and bifonazole (MIC and MFC values at 0.32–0.64 mM and 0.64–0.81 mM). The best antifungal activity is displayed by compound 2 h with MIC at 0.02–0.04 mM and MFC at 0.03–0.06 mM while compound 2a showed the lowest activity. The results showed that these compounds could be lead compounds in search for new potent antimicrobial agents. Docking studies confirmed experimental results.

1,2,4-三唑是药物化学中非常重要的支架，因为1,2,4-三唑衍生物的生物活性范围广，主要是抗真菌活性。后者的抗真菌作用的主要机理是抑制14-α-脱甲基酶（CYP51）。目前的研究提出了八种三唑衍生物的合成和抗菌活性评估。还进行了对接研究以阐明作用机理。使用有机合成的经典方法合成了设计的化合物。通过微量稀释法进行体内抗菌活性评价。所有测试的化合物均显示出良好的抗菌活性，MIC和MBC值为0.0002至0.0069 mM。化合物2小时在MIC为0.0002–0.0033 mM和MBC为0.0004–0.0033 mM的所有测试中，活性似乎最高，其次是化合物2f和2g。最敏感的细菌似乎是油菜黄单胞菌，而解淀粉欧文氏菌则最具抵抗力。抗真菌活性的评估表明，所有化合物均显示出良好的抗真菌活性，MIC值比参考药物酮康唑好，MIC值为0.02 mM至0.52 mM，MFC的0.03 mM至0.52 mM（MIC和MFC的值分别为0.28–1.88 mM和0.38 mM。分别为2.82 mM）和联苯苄唑（MIC和MFC值分别为0.32-0.64 mM和0.64-0.81 mM）。化合物2小时显示出最佳的抗真菌活性MIC为0.02–0.04 mM，MFC为0.03–0.06 mM，而化合物2a的活性最低。结果表明，这些化合物可能是寻找新的有效抗菌剂的先导化合物。对接研究证实了实验结果。