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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q8WVX9
UPID:
FACR1_HUMAN
Alternative names:
Male sterility domain-containing protein 2
Alternative UPACC:
Q8WVX9; D3DQW8; Q5CZA3
Background:
Fatty acyl-CoA reductase 1, also known as Male sterility domain-containing protein 2, plays a pivotal role in lipid metabolism. It catalyzes the reduction of C16 or C18 fatty acyl-CoA to fatty alcohols, crucial for the production of ether lipids/plasmalogens and wax monoesters. These compounds are essential for various biological processes, including membrane integrity and signaling.
Therapeutic significance:
Linked to Peroxisomal fatty acyl-CoA reductase 1 disorder and Cataracts, spastic paraparesis, and speech delay, understanding Fatty acyl-CoA reductase 1's role could unveil novel therapeutic strategies. Its involvement in lipid metabolism disorders highlights its potential as a target for therapeutic intervention.