Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P25092
UPID:
GUC2C_HUMAN
Alternative names:
Heat-stable enterotoxin receptor; Intestinal guanylate cyclase
Alternative UPACC:
P25092; B2RMY6
Background:
Guanylyl cyclase C, also known as the heat-stable enterotoxin receptor or intestinal guanylate cyclase, plays a pivotal role in the synthesis of cyclic GMP (cGMP) from GTP. This enzyme is uniquely activated by bacterial enterotoxins, such as those from E.coli, and endogenous peptides like guanylin and uroguanylin, highlighting its critical function in gastrointestinal physiology.
Therapeutic significance:
The association of Guanylyl cyclase C with diseases such as Diarrhea 6 and Meconium ileus, conditions stemming from gene variants affecting this protein, underscores its therapeutic potential. Targeting this enzyme could lead to innovative treatments for these gastrointestinal disorders, offering hope for patients suffering from these conditions.