Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
A0PJE2
UPID:
DHR12_HUMAN
Alternative names:
Short-chain dehydrogenase/reductase family 40C member 1
Alternative UPACC:
A0PJE2; Q96GB2; Q9H8H1
Background:
Dehydrogenase/reductase SDR family member 12, also known as Short-chain dehydrogenase/reductase family 40C member 1, plays a crucial role as a putative oxidoreductase. This protein is involved in vital biochemical processes, catalyzing the oxidation-reduction reactions that are essential for cellular metabolism and energy production.
Therapeutic significance:
Understanding the role of Dehydrogenase/reductase SDR family member 12 could open doors to potential therapeutic strategies. Its involvement in fundamental biochemical pathways highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.