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.


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 employ our advanced, specialised process to create targeted 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.


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
Q9NVE7

UPID:
PANK4_HUMAN

ALTERNATIVE NAMES:
Inactive pantothenic acid kinase 4

ALTERNATIVE UPACC:
Q9NVE7; B9DI84; Q53EU3; Q5TA84; Q7RTX3; Q9H3X5

BACKGROUND:
4'-phosphopantetheine phosphatase, with alternative identity as Inactive pantothenic acid kinase 4, is pivotal in regulating the coenzyme A (CoA) pathway. It mitigates oxidative damage by hydrolyzing 4'-phosphopantetheine and its oxidized derivatives, safeguarding against the conversion to inactive CoA forms. This enzyme's function underscores its significance in cellular health and metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic function of 4'-phosphopantetheine phosphatase offers promising avenues for therapeutic intervention, particularly in combating Cataract 49. Its involvement in maintaining CoA pathway integrity suggests potential for developing treatments that address the underlying metabolic disturbances in this and possibly other related 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.