Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P54851
UPID:
EMP2_HUMAN
Alternative names:
Protein XMP
Alternative UPACC:
P54851; B2R7V6; D3DUF8
Background:
Epithelial membrane protein 2 (EMP2), also known as Protein XMP, plays a crucial role in regulating cell membrane composition, influencing processes such as cell migration, proliferation, and adhesion. It is involved in the regulation of protein surface expression, including adhesion markers and lipid rafts, and negatively regulates caveolae formation. EMP2 also affects the surface expression of MHC1 and ICAM1, modulating T-cell mediated cytotoxicity, and plays a role in angiogenesis and embryonic development.
Therapeutic significance:
EMP2's involvement in Nephrotic syndrome 10, characterized by severe proteinuria and progressive renal failure, highlights its potential as a therapeutic target. Understanding EMP2's role could open doors to novel strategies for managing this condition and possibly other related diseases.