Aromatic Rings as Molecular Determinants for the Molecular Recognition of Protein Kinase Inhibitors.

ABSTRACT: Protein kinases are key enzymes in many signal transduction pathways, and play a crucial role in cellular proliferation, differentiation, and various cell regulatory processes. However, aberrant function of kinases has been associated with cancers and many other diseases. Consequently, competitive inhibition of the ATP binding site of protein kinases has emerged as an effective means of curing these diseases. Over the past three decades, thousands of protein kinase inhibitors (PKIs) with varying molecular frames have been developed. Large-scale data mining of the Protein Data Bank resulted in a database of 2139 non-redundant high-resolution X-ray crystal structures of PKIs bound to protein kinases. This provided us with a unique opportunity to study molecular determinants for the molecular

SUBMITTER: Zhu Y 

PROVIDER: S-EPMC8005117 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature