通过固载催化剂硅胶硫酸(SSA)催化苯硫酚、芳香醛和5,5-二甲基-1,3-环己二酮进行多组分反应得到不对称芳基硫醚类化合物3-羟基-5,5-二甲基-2-[(1-苯硫基-1-苯基)]甲基-2-环己烯酮,SSA催化使反应产率更高且催化剂可重复使用。通过对催化剂量、温度和投料物质的量比进行优化得到了最佳反应条件。目标化合物结构通过IR、~1HNMR、~(13)CNMR和HR-MS进行确证,初步生物活性测试表明部分化合物具有抗新生隐球菌和白色念珠菌的活性。同时,对3-羟基-5,5-二甲基-2-[1-(2-氟苯硫基-1-苯基)]甲基-2-环己烯酮和白色念珠菌的N-肉豆蔻酰基转移酶(CaNMT)进行了分子对接研究。
3-Hydroxy-5,5-dimethyl-2-( phenyl(thiophenyl) methyl) -cyelohex-2-enone was synthesized via multicomponent reac- tion from thiophenol, aromatic aldehyde and 5,5-dimethyl-1,3-cyclohexanedione catalyzed by silica sulfuric acid ( SSA ). It was determined the optimum condition, such as the amount of catalyst, temperature and molar ratio of reaction reagents. The structures of objective compounds were confirmed by IR ,IHNMR , 13 CNMR and HR-MS. Bioassay showed that some compounds had mod- erate antifungal activity against Cryptococcus neoformans and Canidiaalbicans. The molecular docking method was used to investi- gate the interaction mode of 2-(((2-fluorophenyl) thio)phenyl)methyl)-3-hydroxy-5,5-dimethyleyclohex-2-en-1-one and the N- myristoyhransferase from Canidia albicans( CaNMT).