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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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.


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
Q15813

UPID:
TBCE_HUMAN

ALTERNATIVE NAMES:
Tubulin-folding cofactor E

ALTERNATIVE UPACC:
Q15813; A8K8C2; B7Z3P1

BACKGROUND:
The protein Tubulin-specific chaperone E, alternatively named Tubulin-folding cofactor E, is integral to the tubulin folding pathway, regulating tubulin heterodimer dissociation. Its function is critical for the correct organization of the microtubule cytoskeleton, mitotic spindle formation, and the maintenance of neuronal microtubule networks.

THERAPEUTIC SIGNIFICANCE:
Given its association with conditions such as Hypoparathyroidism-retardation-dysmorphism syndrome, Kenny-Caffey syndrome 1, and progressive encephalopathy, Tubulin-specific chaperone E represents a promising target for drug discovery. Exploring its function could unlock new therapeutic strategies for these complex diseases.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.