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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P0DPH8
UPID:
TBA3D_HUMAN
Alternative names:
Alpha-tubulin 3D
Alternative UPACC:
P0DPH8; A6NJQ0; Q13748; Q5W099; Q6PEY3; Q96F18
Background:
Tubulin alpha-3D chain, also known as Alpha-tubulin 3D, plays a pivotal role in cell structure and function as the major constituent of microtubules. These microtubules are essential for a variety of cellular processes, including cell division, intracellular transport, and the maintenance of cell shape.
Therapeutic significance:
Keratoconus 9, a degenerative corneal disease leading to reduced vision, is directly linked to variants affecting the Tubulin alpha-3D chain gene. This connection underscores the protein's potential as a target for therapeutic intervention, aiming to halt or reverse the progression of this condition.