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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O95497
UPID:
VNN1_HUMAN
Alternative names:
Pantetheine hydrolase; Tiff66; Vascular non-inflammatory molecule 1
Alternative UPACC:
O95497; A8K310; Q4JFW6; Q4VAS7; Q4VAS8; Q4VAS9; Q9UF16; Q9UJF4
Background:
Pantetheinase, also known as Pantetheine hydrolase, Tiff66, and Vascular non-inflammatory molecule 1, plays a crucial role in the metabolism of pantothenic acid (vitamin B5). It specifically hydrolyzes one of the carboamide linkages in D-pantetheine, recycling pantothenic acid and releasing cysteamine.
Therapeutic significance:
Understanding the role of Pantetheinase could open doors to potential therapeutic strategies.