Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O94782
UPID:
UBP1_HUMAN
Alternative names:
Deubiquitinating enzyme 1; Ubiquitin thioesterase 1; Ubiquitin-specific-processing protease 1
Alternative UPACC:
O94782; A0PJ95; D3DQ57; Q05BX7; Q59H66; Q9UFR0; Q9UNJ3
Background:
Ubiquitin carboxyl-terminal hydrolase 1, also known as Deubiquitinating enzyme 1, plays a crucial role in DNA damage repair by specifically deubiquitinating monoubiquitinated FANCD2. It is also pivotal in PCNA-mediated translesion synthesis (TLS) through the deubiquitination of monoubiquitinated PCNA. Its activity is significantly enhanced through interaction with WDR48.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 1 could open doors to potential therapeutic strategies.