Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P16220
UPID:
CREB1_HUMAN
Alternative names:
-
Alternative UPACC:
P16220; P21934; Q6V963; Q9UMA7
Background:
Cyclic AMP-responsive element-binding protein 1 (CREB1) is a pivotal transcription factor, stimulating transcription upon binding to the DNA cAMP response element. It plays a crucial role in various cellular processes, including circadian rhythmicity and adipose differentiation, by regulating the expression of apoptotic and inflammatory response factors in cardiomyocytes.
Therapeutic significance:
The involvement of CREB1 in angiomatoid fibrous histiocytoma, particularly through a chromosomal aberration leading to a EWSR1/CREB1 fusion gene, highlights its potential as a therapeutic target. Understanding the role of CREB1 could open doors to novel therapeutic strategies for this and possibly other related diseases.