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 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O95498
UPID:
VNN2_HUMAN
Alternative names:
Glycosylphosphatidyl inositol-anchored protein GPI-80; Protein FOAP-4; Vascular non-inflammatory molecule 2
Alternative UPACC:
O95498; A0AUZ3; A6NDY1; A8K4E3; A8K7W0; B2DFZ0; B2DFZ1; B2DFZ2; B2DFZ3; F6XL73; Q2XUN1; Q9UJF3; Q9UMW2
Background:
Pantetheine hydrolase VNN2, also known as Glycosylphosphatidyl inositol-anchored protein GPI-80, Protein FOAP-4, and Vascular non-inflammatory molecule 2, plays a crucial role in the hydrolysis of carboamide linkages in D-pantetheine. This process recycles pantothenic acid (vitamin B5) and releases cysteamine, contributing to vital biological functions such as thymus homing of bone marrow cells and regulation of beta-2 integrin-mediated cell adhesion, migration, and motility of neutrophil.
Therapeutic significance:
Understanding the role of Pantetheine hydrolase VNN2 could open doors to potential therapeutic strategies.