Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8TAV3
UPID:
CP2W1_HUMAN
Alternative names:
CYPIIW1
Alternative UPACC:
Q8TAV3
Background:
Cytochrome P450 2W1, known as CYPIIW1, is a pivotal enzyme in retinoid and phospholipid metabolism. It specializes in the hydroxylation of saturated carbon hydrogen bonds, including the transformation of all trans-retinoic acid to 4-hydroxyretinoate, potentially regulating its clearance. CYPIIW1 also processes various lysophospholipids and activates procarcinogens, indicating a complex role in cellular processes.
Therapeutic significance:
Understanding the role of Cytochrome P450 2W1 could open doors to potential therapeutic strategies. Its involvement in metabolizing lysophospholipids and activating procarcinogens highlights its potential impact on tumorigenesis and retinoid metabolism disorders.