Focused On-demand Library for Trophoblast glycoprotein

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q13641

UPID:
TPBG_HUMAN

ALTERNATIVE NAMES:
5T4 oncofetal antigen; 5T4 oncofetal trophoblast glycoprotein; M6P1; Wnt-activated inhibitory factor 1

ALTERNATIVE UPACC:
Q13641; A8K555

BACKGROUND:
Trophoblast glycoprotein, alternatively known as 5T4 oncofetal trophoblast glycoprotein or M6P1, is a pivotal protein in inhibiting Wnt/beta-catenin signaling. By indirectly interacting with LRP6 and blocking the internalization of Wnt3a, it serves as a critical regulator of this essential cellular signaling pathway, as denoted by its accession number Q13641.

THERAPEUTIC SIGNIFICANCE:
The exploration of Trophoblast glycoprotein's function offers promising avenues for drug discovery and development. Given its regulatory role in the Wnt/beta-catenin signaling pathway, which is vital for cell growth and differentiation, targeting this protein could lead to innovative treatments for conditions characterized by abnormal cell signaling.

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