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 high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6TDP4
UPID:
KLH17_HUMAN
Alternative names:
Actinfilin
Alternative UPACC:
Q6TDP4; Q5SV94
Background:
Kelch-like protein 17, also known as Actinfilin, plays a crucial role in cellular processes as a substrate-recognition component of cullin-RING-based BCR E3 ubiquitin-protein ligase complexes. It is instrumental in the ubiquitination and degradation of GLUR6, highlighting its significance in protein homeostasis. Additionally, its involvement in actin-based neuronal functions underscores its importance in the nervous system.
Therapeutic significance:
Understanding the role of Kelch-like protein 17 could open doors to potential therapeutic strategies.