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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated 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 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.


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
Q13093

UPID:
PAFA_HUMAN

ALTERNATIVE NAMES:
1-alkyl-2-acetylglycerophosphocholine esterase; 2-acetyl-1-alkylglycerophosphocholine esterase; Group-VIIA phospholipase A2; LDL-associated phospholipase A2; PAF 2-acylhydrolase

ALTERNATIVE UPACC:
Q13093; A5HTT5; Q15692; Q5VTT1; Q8IVA2

BACKGROUND:
The protein Platelet-activating factor acetylhydrolase, also referred to as LDL-associated phospholipase A2, is crucial in the breakdown of phospholipids under stress conditions. It prevents the accumulation of oxidatively truncated phospholipids in LDL particles, thereby playing a protective role against inflammation and oxidative stress in the cardiovascular system.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in conditions such as Platelet-activating factor acetylhydrolase deficiency, Asthma, and Atopic hypersensitivity, targeting this protein could offer new avenues for therapeutic intervention. Its role in modulating inflammatory responses positions it as a key target in the development of treatments for a range of inflammatory disorders.

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