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.
Our high-tech, dedicated method is applied to construct 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6UW02
UPID:
CP20A_HUMAN
Alternative names:
-
Alternative UPACC:
Q6UW02; Q4ZG61; Q8N4Q8; Q8WWA9; Q9HC04
Background:
Cytochrome P450 20A1 plays a crucial role in the metabolism of various substances within the body. Its unique enzymatic pathways facilitate the breakdown and synthesis of compounds, impacting drug metabolism and hormone synthesis. The specific functions of Cytochrome P450 20A1, while not fully elucidated, are pivotal in maintaining physiological balance.
Therapeutic significance:
Understanding the role of Cytochrome P450 20A1 could open doors to potential therapeutic strategies. Its involvement in critical metabolic pathways suggests that modulating its activity could offer new avenues for treating metabolic disorders and enhancing drug efficacy.