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.
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.
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.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q14623
UPID:
IHH_HUMAN
Alternative names:
HHG-2
Alternative UPACC:
Q14623; B9EGM5; O43322; Q8N4B9
Background:
The Indian hedgehog protein, known alternatively as HHG-2, plays a pivotal role in developmental processes, including skeletal morphogenesis. It achieves this through autoproteolysis and cholesterol transferase activity, leading to the cleavage of the full-length protein and attachment of cholesterol to the N-product. This protein is integral to hedgehog paracrine signaling and is associated with VLDL particles, functioning as a circulating morphogen for maintaining endothelial cell integrity.
Therapeutic significance:
Linked to diseases such as Brachydactyly A1 and Acrocapitofemoral dysplasia, the Indian hedgehog protein's role in skeletal development underscores its potential as a target for therapeutic intervention. Understanding the mechanisms by which it influences bone formation and growth could pave the way for novel treatments for these genetic disorders.