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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P14621

UPID:
ACYP2_HUMAN

ALTERNATIVE NAMES:
Acylphosphatase, muscle type isozyme; Acylphosphate phosphohydrolase 2

ALTERNATIVE UPACC:
P14621

BACKGROUND:
The protein Acylphosphatase-2, bearing alternative names such as Acylphosphatase, muscle type isozyme, and Acylphosphate phosphohydrolase 2, is encoded by the gene with the unique identifier P14621. Its involvement in cellular processes is hinted at by its enzymatic activity, yet the full spectrum of its physiological contributions remains an area ripe for discovery.

THERAPEUTIC SIGNIFICANCE:
Delving into the functional dynamics of Acylphosphatase-2 holds the promise of unveiling new therapeutic avenues. As research progresses, the potential to target this protein in disease modulation becomes increasingly plausible, offering hope for interventions in conditions linked to its activity.

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