Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00308
UPID:
WWP2_HUMAN
Alternative names:
Atrophin-1-interacting protein 2; HECT-type E3 ubiquitin transferase WWP2; WW domain-containing protein 2
Alternative UPACC:
O00308; A6NEP1; B2R706; B4DTL5; F5H213; H3BRF3; I3RSG8; Q6ZTQ5; Q96CZ2; Q9BWN6
Background:
NEDD4-like E3 ubiquitin-protein ligase WWP2, also known as Atrophin-1-interacting protein 2 and WW domain-containing protein 2, plays a crucial role in protein ubiquitination. It facilitates the transfer of ubiquitin to substrates, influencing their degradation or functional modification. WWP2 targets several proteins for ubiquitination, including POU5F1, EGR2, SLC11A2, and RPB1, affecting processes in embryonic stem cells, T-cells, and beyond.
Therapeutic significance:
Understanding the role of NEDD4-like E3 ubiquitin-protein ligase WWP2 could open doors to potential therapeutic strategies. Its involvement in the regulation of key proteins through ubiquitination highlights its potential as a target for modulating cellular processes in disease states.