Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y297
UPID:
FBW1A_HUMAN
Alternative names:
E3RSIkappaB; Epididymis tissue protein Li 2a; F-box and WD repeats protein beta-TrCP; pIkappaBalpha-E3 receptor subunit
Alternative UPACC:
Q9Y297; B5MD49; Q5W141; Q5W142; Q9Y213
Background:
F-box/WD repeat-containing protein 1A, also known as E3RSIkappaB, plays a pivotal role in cellular processes by being a part of the SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex. This complex is crucial for the ubiquitination and subsequent proteasomal degradation of target proteins, including those involved in Wnt signaling, NF-kappa-B activation, and cell cycle regulation. Its ability to recognize and bind to phosphorylated target proteins underscores its significance in cellular signaling pathways.
Therapeutic significance:
Understanding the role of F-box/WD repeat-containing protein 1A could open doors to potential therapeutic strategies. Its involvement in key signaling pathways like Wnt and NF-kappa-B suggests its potential as a target in diseases where these pathways are dysregulated.