5-Aryl-1H-tetrazoles (1–24) were synthesized and screened for their xanthine oxidase (XO) inhibitory activity using allopurinol as standard inhibitor (IC₅₀ = 2.0 ± 0.01 µM). Six compounds 3, 4, 5, 9, 21, and 24 exhibited significant to weak activities with IC₅₀ values in the range of 7.4–174.2 µM. Active compounds were further subjected to kinetic and molecular docking studies to deduce their modes of inhibition, and to study their interactions with the protein (XO) at atomic level, respectively. Interestingly, all these compounds showed a competitive mode of inhibition. Docking studies identified several important interactions between the ligand and the receptor protein (XO). Some of these interactions were similar to that exhibited by clinical inhibitors of XO (allopurinol, and febuxostat). This study identifies 5-aryl-1H-tetrazoles as a new class of xanthine oxidase inhibitors, which deserves to be further, investigated for the treatment of hyperuricemia and gout.

合成了5-芳基-1 H-四唑（1 – 24），并使用别嘌呤醇作为标准抑制剂（IC ₅₀  = 2.0±0.01 µM），筛选了它们的黄嘌呤氧化酶（XO）抑制活性。六种化合物3，4，5，9，21，和24显示出显著弱活动带IC ₅₀值在7.4–174.2 µM的范围内。进一步对活性化合物进行动力学和分子对接研究，以推导其抑制方式，并分别在原子水平上研究其与蛋白质（XO）的相互作用。有趣的是，所有这些化合物都显示出竞争性的抑制方式。对接研究确定了配体与受体蛋白（XO）之间的几种重要相互作用。这些相互作用中的一些类似于XO的临床抑制剂（allopurinol和非布索坦）所表现出的相互作用。这项研究确定了5-芳基-1 H-四唑是一类新的黄嘌呤氧化酶抑制剂，值得进一步研究以治疗高尿酸血症和痛风。