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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P46934
UPID:
NEDD4_HUMAN
Alternative names:
Cell proliferation-inducing gene 53 protein; HECT-type E3 ubiquitin transferase NEDD4; Neural precursor cell expressed developmentally down-regulated protein 4
Alternative UPACC:
P46934; A1KY35; A6ND72; A7MD29; B4E2R7; B7ZM59; B7ZM60; B9EGN5; D6RF89
Background:
E3 ubiquitin-protein ligase NEDD4, known for its pivotal role in ubiquitination, transfers ubiquitin to substrates, affecting their degradation or function. It targets various proteins, including VEGFR-2, IGF1R, FGFR1, and EGFR, influencing receptor internalization and degradation. NEDD4's involvement extends to microbial infections, aiding in the ubiquitination of Ebola virus protein VP40, crucial for viral budding.
Therapeutic significance:
Understanding the role of E3 ubiquitin-protein ligase NEDD4 could open doors to potential therapeutic strategies.