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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9BY49
UPID:
PECR_HUMAN
Alternative names:
2,4-dienoyl-CoA reductase-related protein; HPDHase; Short chain dehydrogenase/reductase family 29C member 1; pVI-ARL
Alternative UPACC:
Q9BY49; B2RE42; Q53TC4; Q6IAK9; Q9NRD4; Q9NY60; Q9P1A4
Background:
Peroxisomal trans-2-enoyl-CoA reductase, known by alternative names such as 2,4-dienoyl-CoA reductase-related protein, HPDHase, and Short chain dehydrogenase/reductase family 29C member 1, plays a crucial role in fatty acid metabolism. It specifically catalyzes the reduction of trans-2-enoyl-CoAs with chain lengths ranging from 6:1 to 16:1, exhibiting peak activity with 10:1 CoA. This enzyme is pivotal in the chain elongation process of fatty acids, a fundamental biochemical pathway.
Therapeutic significance:
Understanding the role of Peroxisomal trans-2-enoyl-CoA reductase could open doors to potential therapeutic strategies. Its critical function in fatty acid metabolism makes it a compelling target for research aimed at treating metabolic disorders.