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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q6ZMV9
UPID:
KIF6_HUMAN
Alternative names:
-
Alternative UPACC:
Q6ZMV9; Q2MDE3; Q2MDE4; Q5T8J6; Q6ZWE3; Q86T87; Q8WTV4
Background:
Kinesin-like protein KIF6 plays a pivotal role in intracellular transport mechanisms, utilizing ATP to generate motor activity along microtubules. This protein is essential for the proper distribution of organelles and vesicles, influencing cellular architecture and division.
Therapeutic significance:
Understanding the role of Kinesin-like protein KIF6 could open doors to potential therapeutic strategies. Its involvement in cellular transport mechanisms positions it as a key target for modulating cellular processes in disease states.