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.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8NEX9
UPID:
DR9C7_HUMAN
Alternative names:
Orphan short-chain dehydrogenase/reductase; RDH-S
Alternative UPACC:
Q8NEX9; B3KVB4
Background:
Short-chain dehydrogenase/reductase family 9C member 7 (RDH-S) is known for its weak conversion of all-trans-retinal to all-trans-retinol in the presence of NADH, despite lacking steroid dehydrogenase activity. This protein, also recognized as an Orphan short-chain dehydrogenase/reductase, plays a crucial role in the metabolic processes of retinoids.
Therapeutic significance:
RDH-S is implicated in Ichthyosis, congenital, autosomal recessive 13, a disorder marked by abnormal skin scaling due to defective keratinization. Understanding the role of RDH-S could open doors to potential therapeutic strategies for this and related skin conditions.