and four series of 60-70 new derivatives were designed and synthesized by using structure based drug design and classical drug design strategies, and the virtual screening and physicochemical properties prediction of the designed compounds were evaluated. The framework of phenylahistin derivatives was optimized in order to improve the pharmacodynamics and physicochemical properties of phenylahistin derivatives, and the structure of region 1 with less molecular space was optimized and the structure-activity relationship of the system was studied. Meanwhile, using boronic acid groups as triggers to explore to increase selectivity and reduce toxic and side effects .