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.


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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised 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 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
Q5VZY2

UPID:
PLPP4_HUMAN

ALTERNATIVE NAMES:
Phosphatidic acid phosphatase type 2 domain-containing protein 1A

ALTERNATIVE UPACC:
Q5VZY2; A2RU82; Q08EQ2; Q0IIP2; Q495B4; Q5VZY1

BACKGROUND:
The enzyme Phospholipid phosphatase 4, with alternative name Phosphatidic acid phosphatase type 2 domain-containing protein 1A, is pivotal in phospholipid metabolism. It preferentially acts on diacylglycerol pyrophosphate and phosphatidate, playing a significant role in both the synthesis and degradation of lipids, as well as in the production of crucial lipid-signaling molecules.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Phospholipid phosphatase 4 offers a promising avenue for the development of novel therapeutic approaches. Its key role in regulating lipid metabolism and signaling could be harnessed to address various metabolic diseases.

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