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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q6PEY2
UPID:
TBA3E_HUMAN
Alternative names:
Alpha-tubulin 3E
Alternative UPACC:
Q6PEY2
Background:
Tubulin alpha-3E chain, also known as Alpha-tubulin 3E, plays a pivotal role in cell structure and function as the major constituent of microtubules. These cylindrical structures, composed of alpha- and beta-tubulin heterodimers, are essential for various cellular processes, including cell division, intracellular transport, and maintenance of cell shape.
Therapeutic significance:
Understanding the role of Tubulin alpha-3E chain could open doors to potential therapeutic strategies. Its critical function in cell division and transport makes it a potential target for cancer therapy, where disrupting microtubule dynamics can inhibit tumor growth.