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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P57739
UPID:
CLD2_HUMAN
Alternative names:
SP82
Alternative UPACC:
P57739; B2R6B9
Background:
Claudin-2, also known as SP82, is pivotal in maintaining tight junction integrity, facilitating cell adhesion without the need for calcium. This protein's unique ability to obliterate intercellular spaces is crucial for proper cellular function and tissue cohesion.
Therapeutic significance:
Claudin-2's involvement in obstructive azoospermia with nephrolithiasis highlights its potential as a therapeutic target. Understanding Claudin-2's role could pave the way for innovative treatments for male infertility and related kidney disorders.