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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P08319
UPID:
ADH4_HUMAN
Alternative names:
Alcohol dehydrogenase 2; Alcohol dehydrogenase 4; Alcohol dehydrogenase class II pi chain
Alternative UPACC:
P08319; A8K470; B4DIE7; C9J4A9; Q8TCD7
Background:
All-trans-retinol dehydrogenase [NAD(+)] ADH4, also known as Alcohol dehydrogenase 2, 4, and class II pi chain, plays a pivotal role in the metabolism of retinoids and fatty acids. It catalyzes the NAD-dependent oxidation of all-trans-retinol or 9-cis-retinol, and long chain omega-hydroxy fatty acids, producing significant biochemical compounds such as 20-oxoarachidonate and eicosatetraenedioate. Additionally, ADH4 is involved in the reduction of benzoquinones, showcasing its versatile enzymatic activity.
Therapeutic significance:
Understanding the role of All-trans-retinol dehydrogenase [NAD(+)] ADH4 could open doors to potential therapeutic strategies. Its involvement in crucial metabolic pathways highlights its potential as a target for drug discovery, aiming to modulate metabolic disorders or diseases linked to retinoid and fatty acid metabolism.