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.
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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9H0M0
UPID:
WWP1_HUMAN
Alternative names:
Atrophin-1-interacting protein 5; HECT-type E3 ubiquitin transferase WWP1; TGIF-interacting ubiquitin ligase 1; WW domain-containing protein 1
Alternative UPACC:
Q9H0M0; O00307; Q5YLC1; Q96BP4
Background:
NEDD4-like E3 ubiquitin-protein ligase WWP1, known for its roles in protein ubiquitination, targets various substrates for proteasomal degradation. It ubiquitinates ERBB4, KLF2, KLF5, TP63, RNF11, TGFBR1, SMAD6, and SMAD7, playing a crucial role in cellular processes such as TGF-beta signaling.
Therapeutic significance:
Understanding the role of NEDD4-like E3 ubiquitin-protein ligase WWP1 could open doors to potential therapeutic strategies.