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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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
Q8N3I7

UPID:
BBS5_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q8N3I7; D3DPC3; Q6PKN0

BACKGROUND:
The Bardet-Biedl syndrome 5 protein is integral to the BBSome complex, required for primary cilia formation and function. It interacts with RAB3IP/Rabin8, facilitating Rab8-GTP's ciliary localization, which is vital for carrier vesicle docking and fusion. Additionally, it plays a role in the SHH pathway by controlling SMO ciliary trafficking, highlighting its importance in cellular communication and development.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Bardet-Biedl syndrome 5 protein could open doors to potential therapeutic strategies. Its direct involvement in Bardet-Biedl syndrome 5, a disorder with a broad spectrum of clinical features, including intellectual disability and renal malformation, emphasizes the need for targeted treatments that address the underlying genetic and molecular mechanisms.

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