遇见数据集

Pikfyve Inhibitor

收藏
Figshare2025-08-13 更新2026-04-28 收录
官方服务:

资源简介:

In Silico Discovery and Experimental Validation of Natural Derivatives as Inhibitor of Phosphoinositide Kinase, Pikfyve A library of over 3,500 NPs was screened against the PIKfyve structure (PDB: 7K2V) using Glide XP docking, followed by MM-GBSA binding free energy estimation and ADMET profiling with SwissADME and pkCSM. Among the top docked candidates, Trilobatin demonstrated favourable pharmacokinetic properties, compliance with drug-likeness criteria, and acceptable safety profile.

创建时间:
2025-08-13
二维码
社区交流群
二维码
科研交流群
商业服务