Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P20248
UPID:
CCNA2_HUMAN
Alternative names:
Cyclin A
Alternative UPACC:
P20248; A8K7B6; Q2M3U6; Q4W5P4; Q6LER8
Background:
Cyclin-A2, also known as Cyclin A, plays a pivotal role in cell cycle regulation by controlling the G1/S and G2/M transition phases. It achieves this through the formation of specific serine/threonine protein kinase holoenzyme complexes with CDK1 or CDK2, where it confers substrate specificity and differentially activates CDK1 and CDK2 throughout the cell cycle.
Therapeutic significance:
Understanding the role of Cyclin-A2 could open doors to potential therapeutic strategies.