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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UII4
UPID:
HERC5_HUMAN
Alternative names:
Cyclin-E-binding protein 1; HECT domain and RCC1-like domain-containing protein 5
Alternative UPACC:
Q9UII4; B2RTQ1; Q69G20
Background:
E3 ISG15--protein ligase HERC5, also known as Cyclin-E-binding protein 1 and HECT domain and RCC1-like domain-containing protein 5, is a pivotal enzyme in the innate antiviral response. It functions as a major E3 ligase for ISG15 conjugation, enhancing the antiviral defense by catalyzing ISGylation of key proteins such as IRF3 and influenza A viral NS1. This modification process not only sustains IRF3 activation but also attenuates the virulence of influenza by disrupting NS1's ability to form homodimers and interact with RNA targets.
Therapeutic significance:
Understanding the role of E3 ISG15--protein ligase HERC5 could open doors to potential therapeutic strategies.