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.
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.
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
P40879
UPID:
S26A3_HUMAN
Alternative names:
Down-regulated in adenoma; Solute carrier family 26 member 3
Alternative UPACC:
P40879
Background:
The Chloride anion exchanger, also known as Down-regulated in adenoma and Solute carrier family 26 member 3, plays a crucial role in chloride-bicarbonate exchange in intestinal epithelia. It is pivotal for chloride and bicarbonate homeostasis during sperm epididymal maturation and capacitation.
Therapeutic significance:
This protein's malfunction is linked to Diarrhea 1, secretory chloride, congenital, a disease marked by excessive watery stools rich in chloride. Understanding its function could lead to novel treatments for this condition.