Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation
Xiaoqing Gong, Shuli Li, Junli Huang, Shuoyan Tan, Qianqian Zhang, Yanan Tian, Qin Li, Lingling Wang, Henry H. Y. Tong, Xiaojun Yao, Chunxia Chen, Simon Ming‐Yuen Lee, Huanxiang Liu
Topics & Concepts
Virtual screeningPharmacophoreLRRK2ChemistryDrug discoveryDocking (animal)Computational biologyKinaseStructure–activity relationshipIn vitroPharmacologyBiochemistryMutationBiologyGeneNursingMedicineComputational Drug Discovery MethodsPlant biochemistry and biosynthesisMicrobial Natural Products and Biosynthesis