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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8WUS8
UPID:
D42E1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8WUS8; B2RDS1; Q9P0D1
Background:
Short-chain dehydrogenase/reductase family 42E member 1 (SDR42E1) is a protein encoded by the gene with the accession number Q8WUS8. This protein belongs to the SDR family, known for their role in metabolizing a wide array of substrates, including steroids, fatty acids, and xenobiotics.
Therapeutic significance:
Understanding the role of Short-chain dehydrogenase/reductase family 42E member 1 could open doors to potential therapeutic strategies. Its involvement in crucial metabolic pathways suggests its potential as a target for drug discovery.