From silico to benchtop: cosmosiin as a PD-1/PDL-1 immune checkpoint inhibitor revealed through DFT, network pharmacology analysis, and molecular docking integrated experimental verification
从计算机模拟到实验验证:通过密度泛函理论、网络药理学分析和分子对接整合实验验证,揭示了 cosmosiin 作为 PD-1/PDL-1 免疫检查点抑制剂的活性。
期刊:RSC Advances
影响因子:4.6
doi:10.1039/d5ra03831f
Alsantali, Reem I; Almohyawi, Abdulaziz M; Rather, Manzoor A; Mir, Jan M; Dangroo, N A; Almalki, Faisal A; Ben Hadda, Taibi; Jassas, Rabab S; Alkubaysi, Sultan I; Ahmed, Saleh A