Synthesis of a series of novel sulfone derivatives 6(a-u) possessing benzimidazoles and isoxazoline rings tailored in a single molecule 5(a-u) was done by reactions using 5-(bromomethyl)-3-phenyl-4,5-dihydroisoxazoles 3(a-u) and 5-{[(1H-benzo[d]imidazol-2-yl)thio]methyl}-3-phenyl-4,5-dihydroisoxazoles 4(a-u) molecules. The chemical structures of all the newly synthesized compounds were established by IR, ¹HNMR, ¹³CNMR and LCMS spectral data. The biological characteristics of the novel sulfone compounds, such as their antioxidant and antibacterial activity, were evaluated. Among the synthesized sulfones derivatives, compounds 6 g, 6b, and 6e demonstrated outstanding antibacterial activity while compounds 6b, 6c, 6i, 6j, and 6 k demonstrated higher antioxidant activity. Further insilico absorption, distribution, metabolism, excretion, and toxicity (ADMET) studies of synthesized sulfones were studied which exhibited excellent intestinal absorption which is more than 80 %, and relatively moderate toxicity. Molecular docking studies confirmed the antibacterial and antioxidant potential which is comparable with the standard.

通过使用 5-(bromomethyl)-3-phenyl-4,5-dihydroisoxazoles 3(au)的反应合成一系列具有苯并咪唑和异恶唑啉环的新型砜衍生物6(au)在单分子5(au)中进行定制和 5-{[(1 H-苯并[ d ]咪唑-2-基)硫代]甲基}-3-苯基-4,5-二氢异恶唑4(au)分子。^{所有新合成化合物的化学结构均通过IR、 1} HNMR、¹³ CNMR和LCMS光谱数据确定。新型砜的生物学特性 评估了化合物的抗氧化和抗菌活性。在合成的砜衍生物中，化合物6g、6b和6e表现出突出的抗菌活性，而化合物6b、6c、6i、6j和6k表现出更高的抗氧化活性。进一步的计算机对合成砜的吸收、分布、代谢、排泄和毒性 (ADMET) 研究进行了研究，表现出优异的肠道吸收率超过 80%，并且毒性相对适中。分子对接研究证实了与标准品相当的抗菌和抗氧化潜力。