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.


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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q15102

UPID:
PA1B3_HUMAN

ALTERNATIVE NAMES:
PAF acetylhydrolase 29 kDa subunit; PAF-AH subunit gamma

ALTERNATIVE UPACC:
Q15102; Q53X88

BACKGROUND:
Platelet-activating factor acetylhydrolase IB subunit alpha1, known alternatively as PAF acetylhydrolase 29 kDa subunit or PAF-AH subunit gamma, is integral to the cytosolic type I PAF acetylhydrolase enzyme's function. It catalyzes the removal of the acetyl group from PAF and similar compounds, a key step in controlling PAF's biological activities. The enzyme's efficiency and specificity are influenced by its subunit composition, with both homodimer and heterodimer forms playing significant roles in its function.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Platelet-activating factor acetylhydrolase IB subunit alpha1 offers a promising avenue for the development of novel therapeutic approaches, especially in diseases where the regulation of PAF activity is crucial.

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