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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q06136
UPID:
KDSR_HUMAN
Alternative names:
3-dehydrosphinganine reductase; Follicular variant translocation protein 1; Short chain dehydrogenase/reductase family 35C member 1
Alternative UPACC:
Q06136; B2R5Y1; B4DMX0
Background:
3-ketodihydrosphingosine reductase, also known as 3-dehydrosphinganine reductase, plays a crucial role in sphingolipid metabolism by catalyzing the reduction of 3-ketodihydrosphingosine to dihydrosphingosine. This enzyme's activity is pivotal in the synthesis of complex sphingolipids, essential components of cell membranes and involved in various cellular processes.
Therapeutic significance:
The enzyme's link to Erythrokeratodermia variabilis et progressiva 4, a skin disorder characterized by erythema and hyperkeratosis, highlights its potential as a therapeutic target. Understanding the enzyme's role could lead to novel treatments for this and possibly other related skin conditions.