Computational analysis of kinase inhibitor selectivity using structural knowledge.

ABSTRACT:

Motivation

Kinases play a significant role in diverse disease signaling pathways and understanding kinase inhibitor selectivity, the tendency of drugs to bind to off-targets, remains a top priority for kinase inhibitor design and clinical safety assessment. Traditional approaches for kinase selectivity analysis using biochemical activity and binding assays are useful but can be costly and are often limited by the kinases that are available. On the other hand, current computational kinase selectivity prediction methods are computational intensive and can rarely achieve sufficient accuracy for large-scale kinome wide inhibitor selectivity profiling.

Results

Here, we present a KinomeFEATURE database for kinase binding site similarity search by comparing protein microenvironment

SUBMITTER: Lo YC 

PROVIDER: S-EPMC6330000 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature