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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43323
UPID:
DHH_HUMAN
Alternative names:
HHG-3
Alternative UPACC:
O43323; Q15794
Background:
The Desert hedgehog protein (HHG-3) is pivotal in cell-cell mediated juxtacrine signaling, promoting endothelium integrity and playing a crucial role in various developmental processes. It undergoes autoproteolysis and cholesterol transferase activity, resulting in two products that activate the PTCH1 receptor to initiate transcription of target genes. This protein is essential for normal testis development, spermatogenesis, and the formation of adult-type Leydig cells.
Therapeutic significance:
Given its involvement in 46,XY gonadal dysgenesis with minifascicular neuropathy and 46,XY sex reversal 7, understanding the role of Desert hedgehog protein could open doors to potential therapeutic strategies for these genetic disorders.