Focused On-demand Library for Platelet-activating factor acetylhydrolase 2, cytoplasmic

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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.


We use our state-of-the-art dedicated workflow for designing focused 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
Q99487

UPID:
PAFA2_HUMAN

ALTERNATIVE NAMES:
PAF:lysophospholipid transacetylase; PAF:sphingosine transacetylase; Platelet-activating factor acetyltransferase PAFAH2; Serine-dependent phospholipase A2

ALTERNATIVE UPACC:
Q99487; D3DPK1; O15458; Q5SY02

BACKGROUND:
The enzyme Platelet-activating factor acetylhydrolase 2, cytoplasmic, also known as PAFAH2, is integral to the inactivation of platelet-activating factor (PAF) through the hydrolysis of acetyl groups. This process is crucial for regulating the bioactivity of PAF, a key player in inflammation and thrombosis. PAFAH2's ability to hydrolyze propionyl and butyroyl moieties and its transacetylation activity further underscore its significant biochemical versatility and selectivity for certain phospholipids.

THERAPEUTIC SIGNIFICANCE:
The exploration of Platelet-activating factor acetylhydrolase 2, cytoplasmic's biochemical pathways offers a promising avenue for the development of novel therapeutic interventions. By targeting the enzymatic mechanisms of PAFAH2, researchers may unlock new treatments for diseases driven by dysregulated lipid metabolism and inflammatory processes.

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