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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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
Q6VVX0
UPID:
CP2R1_HUMAN
Alternative names:
Cytochrome P450 2R1
Alternative UPACC:
Q6VVX0; Q2M3H3; Q5RT65
Background:
Vitamin D 25-hydroxylase, also known as Cytochrome P450 2R1, plays a pivotal role in the activation of vitamin D precursors. This enzyme catalyzes the hydroxylation at C-25 of vitamin D(2) and D(3), crucial for maintaining bone health and calcium homeostasis.
Therapeutic significance:
The enzyme's deficiency is linked to Rickets vitamin D-dependent 1B, a disorder marked by bone mineralization defects. Understanding the role of Vitamin D 25-hydroxylase could open doors to potential therapeutic strategies for this and related bone diseases.