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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5GLZ8
UPID:
HERC4_HUMAN
Alternative names:
HECT domain and RCC1-like domain-containing protein 4; HECT-type E3 ubiquitin transferase HERC4
Alternative UPACC:
Q5GLZ8; Q5GC98; Q5GC99; Q5GCA0; Q8IXP9; Q9HCH9
Background:
Probable E3 ubiquitin-protein ligase HERC4 plays a pivotal role in protein trafficking or cellular structure distribution, essential for sperm maturation and fertility. Known alternatively as HECT domain and RCC1-like domain-containing protein 4, it facilitates the removal of the cytoplasmic droplet in spermatozoa.
Therapeutic significance:
Understanding the role of Probable E3 ubiquitin-protein ligase HERC4 could open doors to potential therapeutic strategies.