Focused On-demand Library for Tubulin alpha-1A chain

Focused On-demand Libraries - Receptor.AI Collaboration


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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q71U36

UPID:
TBA1A_HUMAN

ALTERNATIVE NAMES:
Alpha-tubulin 3; Tubulin B-alpha-1; Tubulin alpha-3 chain

ALTERNATIVE UPACC:
Q71U36; A8K0B8; G3V1U9; P04687; P05209

BACKGROUND:
The Tubulin alpha-1A chain, known under various names such as Alpha-tubulin 3, Tubulin B-alpha-1, and Tubulin alpha-3 chain, is integral to the formation and function of microtubules. These cylindrical structures, composed of alpha- and beta-tubulin heterodimers, are crucial for numerous cellular activities, including mitosis, motility, and signal transduction. The growth of microtubules is a GTP-dependent process, highlighting the importance of Tubulin alpha-1A in cellular dynamics.

THERAPEUTIC SIGNIFICANCE:
Mutations affecting the Tubulin alpha-1A chain are implicated in Lissencephaly 3, a disease marked by severe brain abnormalities and cognitive impairment. The exploration of Tubulin alpha-1A chain's function offers a promising avenue for the development of novel therapeutic approaches aimed at mitigating the impact of such neurodevelopmental disorders.

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