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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
O95803
UPID:
NDST3_HUMAN
Alternative names:
Glucosaminyl N-deacetylase/N-sulfotransferase 3; N-heparan sulfate sulfotransferase 3
Alternative UPACC:
O95803; B4DI67; Q4W5C1; Q4W5D0; Q6UWC5; Q9UP21
Background:
Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 3, also known as Glucosaminyl N-deacetylase/N-sulfotransferase 3 and N-heparan sulfate sulfotransferase 3, plays a pivotal role in the modification of the glycosaminoglycan in heparan sulfate. This enzyme is essential for the biosynthesis of heparin, catalyzing both the N-deacetylation and N-sulfation of glucosamine, leading to the production of N-sulfated heparosan.
Therapeutic significance:
Understanding the role of Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 3 could open doors to potential therapeutic strategies.