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.
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.
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.
Our top-notch dedicated system is used to design specialised 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P51161
UPID:
FABP6_HUMAN
Alternative names:
Fatty acid-binding protein 6; Ileal lipid-binding protein; Intestinal 15 kDa protein; Intestinal bile acid-binding protein
Alternative UPACC:
P51161; Q07DR7; Q8TBI3; Q9UGI7
Background:
Gastrotropin, also known as Fatty acid-binding protein 6, plays a crucial role in enterohepatic bile acid metabolism. It binds to bile acids with varying affinities, facilitating their transport in ileal enterocytes. This protein's interaction with bile acids is essential for the digestive process, influencing the secretion of gastric acid and pepsinogen.
Therapeutic significance:
Understanding the role of Gastrotropin could open doors to potential therapeutic strategies. Its essential function in preventing bile acid-induced apoptosis in colon cancer cells highlights its potential as a target for cancer therapy.