OBJECTIVE To screen S-phase kinase-related protein 2(skp2)and lysine specific demethylase 1(LSD1)dual target inhibitors.METHODS Based on computer-aided drug design,the compounds with good activity against two targets were screened from the small molecule database by molecular docking,virtual screening,and quantitative structure-activity relationship(QSAR)model prediction.RESULTS and CONCLUSION Six compounds were identified that exhibited favorable docking score results compound.The QSAR model demonstrated that the compounds displayed inhibitory effects on skp2 and LSD1,suggesting potential avenues for the subsequent development of skp2/LSD1 dual-target inhibitors.
S-phase kinase-related protein 2/Lysine specific demethylase 1/Small molecule inhibitor/Molecular docking/Computer-aided drug design/Virtual screening/Dual-target inhibitors/QSAR
维普
万方数据