Stable H-bond networks are crucial for selective CLK1 inhibition: a computational perspective.

ABSTRACT: Studying the selectivity mechanism of inhibitors towards highly similar isoforms is an important task in the development of new drugs, which are designed to avoid the undesired side effects in vivo. CDC-like kinase isoforms (CLKs) are serine/threonine protein kinases that are involved in the phosphorylation of mRNA spliceosomes leading to the regulation of gene expression. The CLK isoforms are expressed in most human tissues and cells, but the expression levels of each isoform vary in different cells. Typically, CLK3 is expressed in male testes and sperm, by contrast, as a potential cancer treatment target, the expression level of CLK1 in testicular tissue is significantly lower than other isoforms. These differences in the tissue distribution of CLK1 and CLK3 suggest that the devel

SUBMITTER: Huang Y 

PROVIDER: S-EPMC12209269 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature