Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 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
Q93063
UPID:
EXT2_HUMAN
Alternative names:
Glucuronosyl-N-acetylglucosaminyl-proteoglycan/N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase; Multiple exostoses protein 2; Putative tumor suppressor protein EXT2
Alternative UPACC:
Q93063; B2R5Z6; C9JU51; J3KPT2; O15288
Background:
Exostosin-2, also known as Multiple exostoses protein 2, plays a crucial role in the biosynthesis of heparan-sulfate. This protein, in collaboration with EXT1, forms a complex that significantly enhances glycosyltransferase activity, pivotal for cell growth and development. It is also implicated in tumor suppression and is essential for the exosomal release of key proteins.
Therapeutic significance:
Exostosin-2 is linked to Hereditary multiple exostoses 2, Potocki-Shaffer syndrome, and Seizures, scoliosis, and macrocephaly/microcephaly syndrome. These associations highlight its potential as a target for therapeutic intervention in bone disorders and neurological conditions. Understanding the role of Exostosin-2 could open doors to potential therapeutic strategies.