Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UJT0
UPID:
TBE_HUMAN
Alternative names:
Epsilon-tubulin
Alternative UPACC:
Q9UJT0; Q5H8W8; Q8NEG3
Background:
Epsilon-tubulin, known as the Tubulin epsilon chain, plays a crucial role in the structure and function of microtubules. This protein is essential for the proper assembly and stability of microtubules, which are key components of the cytoskeleton in eukaryotic cells. Epsilon-tubulin's unique properties and interactions facilitate cellular processes such as division, intracellular transport, and the maintenance of cell shape.
Therapeutic significance:
Understanding the role of Epsilon-tubulin could open doors to potential therapeutic strategies. Its pivotal role in cell division and maintenance makes it a potential target for cancer therapy, where regulation of microtubule dynamics is crucial for the inhibition of uncontrolled cell proliferation.