Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q99714
UPID:
HCD2_HUMAN
Alternative names:
17-beta-estradiol 17-dehydrogenase; 2-methyl-3-hydroxybutyryl-CoA dehydrogenase; 3-alpha-(17-beta)-hydroxysteroid dehydrogenase (NAD(+)); 3-hydroxy-2-methylbutyryl-CoA dehydrogenase; 3-hydroxyacyl-CoA dehydrogenase type II; 3alpha(or 20beta)-hydroxysteroid dehydrogenase; 7-alpha-hydroxysteroid dehydrogenase; Endoplasmic reticulum-associated amyloid beta-peptide-binding protein; Mitochondrial ribonuclease P protein 2; Short chain dehydrogenase/reductase family 5C member 1; Short-chain type dehydrogenase/reductase XH98G2; Type II HADH
Alternative UPACC:
Q99714; Q5H927; Q6IBS9; Q8TCV9; Q96HD5
Background:
3-hydroxyacyl-CoA dehydrogenase type-2 (HSD17B10) is a multifunctional mitochondrial enzyme involved in fatty acid, branched-chain amino acid, and steroid metabolism. It plays a critical role in mitochondrial fatty acid beta-oxidation, isoleucine degradation, and the metabolism of various steroids. Additionally, it exhibits phospholipase C-like activity and may protect cells from apoptosis during oxidative stress. HSD17B10 also interacts with amyloid-beta, potentially contributing to Alzheimer's disease pathology.
Therapeutic significance:
HSD10 mitochondrial disease, linked to HSD17B10, manifests with neurodegeneration, psychomotor retardation, and metabolic acidosis. Understanding HSD17B10's role could unveil novel therapeutic strategies for this disease and conditions involving metabolic dysregulation.