Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q00534
UPID:
CDK6_HUMAN
Alternative names:
Cell division protein kinase 6; Serine/threonine-protein kinase PLSTIRE
Alternative UPACC:
Q00534; A4D1G0
Background:
Cyclin-dependent kinase 6 (CDK6), known alternatively as Cell division protein kinase 6 and Serine/threonine-protein kinase PLSTIRE, plays a pivotal role in cell cycle control and differentiation. It facilitates the G1/S transition, phosphorylates key proteins such as pRB/RB1 and NPM1, and interacts with D-type G1 cyclins. CDK6 is crucial for cell proliferation in specific tissues like the hippocampus and for thymocyte development, while also influencing cell differentiation and senescence.
Therapeutic significance:
CDK6's involvement in Microcephaly 12, primary, autosomal recessive, underscores its potential as a therapeutic target. This condition, characterized by significantly reduced brain size and cerebral cortex, highlights the critical role of CDK6 in brain development. Understanding CDK6's functions could lead to novel treatments for microcephaly and other cell proliferation disorders.