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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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
P41226
UPID:
UBA7_HUMAN
Alternative names:
D8; Ubiquitin-activating enzyme E1 homolog
Alternative UPACC:
P41226; Q9BRB2
Background:
Ubiquitin-like modifier-activating enzyme 7, also known as D8 or Ubiquitin-activating enzyme E1 homolog, plays a pivotal role in protein regulation. It activates ubiquitin by adenylating its C-terminal glycine residue with ATP, then linking this residue to a cysteine residue in E1, forming a ubiquitin-E1 thioester. This enzyme is also responsible for the ISGylation of influenza A virus NS1 protein, highlighting its significance in viral infection response.
Therapeutic significance:
Understanding the role of Ubiquitin-like modifier-activating enzyme 7 could open doors to potential therapeutic strategies. Its involvement in protein ubiquitination and ISGylation processes makes it a promising target for the development of treatments against viral infections and diseases related to protein dysregulation.