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 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q2M3T9
UPID:
HYAL4_HUMAN
Alternative names:
Chondroitin sulfate endo-beta-N-acetylgalactosaminidase; Chondroitin sulfate hydrolase; Hyaluronoglucosaminidase-4
Alternative UPACC:
Q2M3T9; D0VXG1; Q9UL99; Q9Y6T9
Background:
Hyaluronidase-4, also known as Chondroitin sulfate endo-beta-N-acetylgalactosaminidase, plays a crucial role in the degradation of hyaluronan into smaller oligosaccharide fragments. This protein exhibits chondroitin sulfate hydrolase activity, efficiently breaking down the galactosaminidic linkage in trisulfated tetrasaccharides.
Therapeutic significance:
Understanding the role of Hyaluronidase-4 could open doors to potential therapeutic strategies. Its ability to degrade key components of the extracellular matrix suggests potential applications in treating diseases where matrix accumulation is a factor.