当前位置: X-MOL 学术J. Saudi Chem. Soc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Aluminum chloride-functionalized silica gel synthesis as a catalyst for the preparation of biologically active oxazolidinethiones: Antioxidant and molecular docking studies
Journal of Saudi Chemical Society ( IF 5.6 ) Pub Date : 2020-10-06 , DOI: 10.1016/j.jscs.2020.09.007
Il Soo Moon , Mahboob Alam

The aim of this research paper was the preparation of aluminum chloride bonded to silica gel catalyst and its application in the modification of steroidal molecules. Steroidal oxazolidinethiones were prepared using silica-supported aluminum chloride (SiO2-AlCl3) under Microwave irradiation, which is common in organic synthesis to achieve high yields in shorter reaction times. The advantage of this method is that the usual procedure can be carried out without tiring and without a secondary product at the end of the reaction. Physicochemical techniques were used to identify the chemical structure of the prepared oxazolidinethiones. A rationalization of the conversion pathways from steroidal epoxides to oxazolidinethiones is sketched on the basis of current and previous results. Antioxidant activities i.e. DPPH assay, total antioxidant capacity and total reductive capability were performed for steroidal compounds, including reactants, and the results indicated that steroidal oxazolidinethione with acetoxy group had a promising activity among the tested steroids. In correlation with antioxidant activity, a promising steroid derivative was subjected to a molecular docking study for binding to tyrosine kinases, the target protein and showed a negative binding energy −7.8 Kcal/mol suggesting good affinity to the active pocket and can be considered as a better antioxidant in the biological system.



中文翻译:

氯化铝官能化硅胶合成催化剂,用于制备生物活性恶唑烷硫酮:抗氧化剂和分子对接研究

本研究的目的是结合硅胶催化剂制备氯化铝及其在甾体分子修饰中的应用。使用二氧化硅负载的氯化铝(SiO 2 -AlCl 3)在微波辐射下进行,这在有机合成中很常见,可以在较短的反应时间内获得高收率。该方法的优点是可以在不结束的情况下进行常规程序,并且在反应结束时没有副产物。使用物理化学技术来确定所制备的恶唑烷硫酮的化学结构。根据当前和以前的结果,概述了从甾体环氧化物到恶唑烷硫酮的转化途径的合理化。对甾类化合物(包括反应物)进行了抗氧化活性(即DPPH测定,总抗氧化能力和总还原能力),结果表明,带有乙酰氧基的甾体恶唑烷硫酮在被测甾体中具有良好的活性。与抗氧化活性相关,

更新日期:2020-10-30
down
wechat
bug