Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations

Structure-Based Pharmacophore Modeling f

Structure-Based Pharmacophore Modeling from Multicomplex: a Comprehensive Pharmacophore Generation of Protein Kinase CK2 and Virtual Screening Based on it for Novel Inhibitors

✍ Hao-Peng Sun; Jia Zhu; Fei-Hong Chen; Qi-Dong You 📂 Article 📅 2011 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 883 KB

## Abstract Protein kinase CK2, a member of the serine/threonine kinase family, is an attractive therapeutic target for anticancer combination therapy. A multiple structure‐based modeling approach complemented with shape components was taken to build a reliable pharmacophore model for ATP‐competiti