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 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.
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 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
Q15040
UPID:
JOS1_HUMAN
Alternative names:
Josephin domain-containing protein 1
Alternative UPACC:
Q15040; A8K712
Background:
Josephin-1, also known as Josephin domain-containing protein 1, plays a crucial role in cellular processes through its ability to deubiquitinate monoubiquitinated probes. Its activity in cleaving both 'Lys-63'-linked and 'Lys-48'-linked poly-ubiquitin chains underscores its significance as a deubiquitinating enzyme. Beyond its enzymatic functions, Josephin-1 is implicated in enhancing membrane dynamics and cell motility, as well as modulating endocytosis pathways.
Therapeutic significance:
Understanding the role of Josephin-1 could open doors to potential therapeutic strategies. Its involvement in critical cellular mechanisms, including ubiquitination and endocytosis, positions it as a key target for drug discovery efforts aimed at treating diseases with underlying cellular dysfunctions.