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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q16394
UPID:
EXT1_HUMAN
Alternative names:
Glucuronosyl-N-acetylglucosaminyl-proteoglycan/N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase; Multiple exostoses protein 1; Putative tumor suppressor protein EXT1
Alternative UPACC:
Q16394; B2R7V2; Q9BVI9
Background:
Exostosin-1, encoded by the EXT1 gene, is a glycosyltransferase essential for heparan-sulfate biosynthesis. This enzyme, in complex with EXT2, significantly enhances glycosyltransferase activity, crucial for various biological processes. Exostosin-1 is also identified as a putative tumor suppressor, playing a pivotal role in exosomal release of key molecules like SDCBP and CD63.
Therapeutic significance:
Exostosin-1's malfunction is linked to hereditary multiple exostoses 1, tricho-rhino-phalangeal syndrome 2, and chondrosarcoma. These conditions underscore its critical role in skeletal development and tumor suppression. Understanding Exostosin-1's function could pave the way for innovative treatments targeting these skeletal disorders and potentially inhibiting tumor growth.