Focused On-demand Libraries - Receptor.AI Collaboration


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.


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.


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.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
O75386

UPID:
TULP3_HUMAN

ALTERNATIVE NAMES:
Tubby-like protein 3

ALTERNATIVE UPACC:
O75386; B3KNB7; B7Z6A2; D3DUQ4; F8WBZ9; Q8N5B0

BACKGROUND:
The Tubby-related protein 3, also known as Tubby-like protein 3, is integral to the regulation of the Shh signaling pathway through its association with the IFT complex A and phosphoinositide lipids. This regulation is crucial for proper ciliary G protein-coupled receptor trafficking, including during the process of adipogenesis, where it affects the trafficking of FFAR4 in preadipocytes.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in Hepatorenocardiac degenerative fibrosis, characterized by progressive organ fibrosis and cardiomyopathy, Tubby-related protein 3 represents a promising avenue for research into disease mechanisms and therapeutic interventions. Understanding the role of Tubby-related protein 3 could open doors to potential therapeutic strategies.

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