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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5VTY9
UPID:
HHAT_HUMAN
Alternative names:
Hedgehog acyltransferase; Melanoma antigen recognized by T-cells 2; Skinny hedgehog protein 1
Alternative UPACC:
Q5VTY9; B7Z4D5; B7Z5I1; B7Z868; B7ZA75; D3DT91; F5H444; Q17RZ7; Q4G0K3; Q5CZ95; Q5TGI2; Q9NVH9; Q9Y3N8
Background:
Protein-cysteine N-palmitoyltransferase HHAT, also known as Hedgehog acyltransferase, plays a pivotal role in embryonic development and testicular organogenesis through its enzymatic activity. It catalyzes the N-terminal palmitoylation of SHH and DHH, essential for Hedgehog signaling, a pathway critical for cell differentiation and tissue development.
Therapeutic significance:
Given its crucial role in Hedgehog signaling, HHAT's dysfunction is linked to Nivelon-Nivelon-Mabille syndrome, characterized by microcephaly, skeletal dysplasia, and gonadal dysgenesis. Targeting HHAT could offer novel therapeutic avenues for treating this syndrome and potentially other developmental disorders.