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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
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.