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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q49AN0
UPID:
CRY2_HUMAN
Alternative names:
-
Alternative UPACC:
Q49AN0; B4DH32; B4DZD6; O75148; Q8IV71
Background:
Cryptochrome-2, a pivotal transcriptional repressor, is integral to the circadian clock, influencing various physiological processes through gene expression rhythms. This protein ensures temporal alignment with the solar day, impacting metabolism, sleep, and cardiovascular functions. It operates within a transcription/translation feedback loop, crucial for maintaining the 24-hour cycle by regulating gene expression, including core clock and clock-controlled genes.
Therapeutic significance:
Understanding the role of Cryptochrome-2 could open doors to potential therapeutic strategies.