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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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.


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
P36896

UPID:
ACV1B_HUMAN

ALTERNATIVE NAMES:
Activin receptor type IB; Activin receptor-like kinase 4; Serine/threonine-protein kinase receptor R2

ALTERNATIVE UPACC:
P36896; B7Z5L8; B7Z5W5; Q15479; Q15480; Q15481; Q15482

BACKGROUND:
The Activin receptor type-1B, a transmembrane serine/threonine kinase, is integral to the activin receptor complex, facilitating activin signal transduction. This receptor is key in regulating physiological and pathological processes including immunosuppression and carcinogenesis, by activating SMAD proteins which mediate activin-induced transcription.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Activin receptor type-1B could open doors to potential therapeutic strategies. Its central role in activin signal transduction makes it a target of interest for drug discovery, aiming to modulate its pathway for therapeutic benefits in diseases like cancer and immune disorders.

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.