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 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
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
Q8NE62
UPID:
CHDH_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NE62; Q9NY17
Background:
Choline dehydrogenase, mitochondrial, encoded by the gene with accession number Q8NE62, plays a pivotal role in the choline oxidation pathway. This enzyme catalyzes the first step in the metabolism of choline into betaine, a critical process for maintaining cellular osmotic balance and methylation reactions.
Therapeutic significance:
Understanding the role of Choline dehydrogenase, mitochondrial could open doors to potential therapeutic strategies. Its involvement in the choline oxidation pathway highlights its importance in cellular metabolism and homeostasis, suggesting that modulation of its activity could have therapeutic benefits.