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 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
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96S55
UPID:
WRIP1_HUMAN
Alternative names:
Werner helicase-interacting protein 1
Alternative UPACC:
Q96S55; B2RDB0; Q53EP6; Q59ET8; Q5W0E2; Q5W0E4; Q8WV26; Q9H681; Q9NRJ6
Background:
ATPase WRNIP1, also known as Werner helicase-interacting protein 1, plays a crucial role in DNA synthesis modulation and innate immune defense. It regulates DNA polymerase delta-mediated DNA synthesis in the presence of ATP and enhances the RIGI dsRNA interaction, crucial for antiviral responses.
Therapeutic significance:
Understanding the role of ATPase WRNIP1 could open doors to potential therapeutic strategies, especially in enhancing innate immunity and improving DNA repair mechanisms.