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.
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 utilise our cutting-edge, exclusive workflow to develop 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
Q9UBN7
UPID:
HDAC6_HUMAN
Alternative names:
Tubulin-lysine deacetylase HDAC6
Alternative UPACC:
Q9UBN7; O94975; Q6NT75; Q7L3E5; Q96CY0
Background:
Histone deacetylase 6, also known as Tubulin-lysine deacetylase HDAC6, plays a pivotal role in the deacetylation of lysine residues on core histones and other proteins. Its activities are crucial for transcriptional regulation, cell cycle progression, and developmental events. HDAC6 is unique in its ability to deacetylate tubulin, which is essential for microtubule-dependent cell motility, cilia disassembly, and autophagy completion.
Therapeutic significance:
HDAC6 is linked to Chondrodysplasia with platyspondyly, distinctive brachydactyly, hydrocephaly, and microphthalmia, a disease marked by severe bone abnormalities and intellectual disability. Targeting HDAC6 could offer novel therapeutic avenues for treating this genetic disorder and potentially other conditions involving histone deacetylation.