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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We utilise our cutting-edge, exclusive workflow to develop 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q6Y1H2
UPID:
HACD2_HUMAN
Alternative names:
3-hydroxyacyl-CoA dehydratase 2; Protein-tyrosine phosphatase-like member B
Alternative UPACC:
Q6Y1H2
Background:
Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2, also known as 3-hydroxyacyl-CoA dehydratase 2 and Protein-tyrosine phosphatase-like member B, plays a crucial role in the elongation of very long-chain fatty acids (VLCFA). This process involves a four-step cycle in the endoplasmic reticulum, essential for the production of VLCFAs that serve as precursors of membrane lipids and lipid mediators.
Therapeutic significance:
Understanding the role of Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2 could open doors to potential therapeutic strategies.