Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q5FYB0
UPID:
ARSJ_HUMAN
Alternative names:
-
Alternative UPACC:
Q5FYB0; A2RUG0; B7ZM45; Q1HA39; Q5FWE4; Q6UWT9
Background:
Arylsulfatase J, encoded by the gene symbol Q5FYB0, is a novel enzyme in the arylsulfatase family, which plays a crucial role in the degradation of sulfate esters. This protein is part of a larger group of enzymes that are essential for the metabolism of sulfated compounds, contributing to various cellular processes.
Therapeutic significance:
Understanding the role of Arylsulfatase J could open doors to potential therapeutic strategies. Its involvement in the metabolism of sulfated compounds suggests a foundational role in cellular function and health, highlighting its potential as a target for drug discovery.