Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking
Jingyu Zhu, Huiqin Meng, Xintong Li, Lei Jia, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin, Yu Li
Topics & Concepts
PharmacophoreVirtual screeningDocking (animal)Computational biologyMolecular dynamicsPI3K/AKT/mTOR pathwayChemistryHomology modelingComputer scienceCombinatorial chemistryBiologyStereochemistryBiochemistryEnzymeComputational chemistryMedicineSignal transductionNursingPI3K/AKT/mTOR signaling in cancerChronic Lymphocytic Leukemia ResearchBiochemical and Molecular Research