Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our high-tech, dedicated method is applied to construct 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
P28332
UPID:
ADH6_HUMAN
Alternative names:
-
Alternative UPACC:
P28332; A0A0A0MS56; B3KS45; Q58F53
Background:
Alcohol dehydrogenase 6 (ADH6) is a key enzyme in the metabolic pathway, catalyzing the oxidation of alcohols to aldehydes and ketones. This enzyme plays a crucial role in ethanol metabolism, contributing to the detoxification of alcohol within the body. Its activity is essential for the maintenance of metabolic homeostasis.
Therapeutic significance:
Understanding the role of Alcohol dehydrogenase 6 could open doors to potential therapeutic strategies. Its pivotal function in alcohol metabolism makes it a target for the development of treatments for alcohol-related disorders, offering a pathway to mitigate the effects of excessive alcohol consumption.