KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking.

ABSTRACT: Kinases are major targets of anti-cancer therapies owing to their importance in signaling processes that regulate cell growth and proliferation. However, drug resistance has emerged as a major obstacle to cancer therapy. Resistance to drugs has various underlying mechanisms, including the acquisition of mutations at drug binding sites and the resulting reduction in drug binding affinity. Therefore, the identification of mutations that are relevant to drug resistance may be useful to overcome this issue. We hypothesized that these mutations can be identified by combining recent advances in computational methods for protein structure modeling and ligand docking simulation. Hence, we developed a web-based tool named the Kinase Resistance Docking System (KRDS) that enables the assessment of th

SUBMITTER: Lee A 

PROVIDER: S-EPMC5891443 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature