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 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.


We utilise our cutting-edge, exclusive workflow to develop 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 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
Q92539

UPID:
LPIN2_HUMAN

ALTERNATIVE NAMES:
Lipin-2

ALTERNATIVE UPACC:
Q92539; A7MD25; D3DUH3

BACKGROUND:
The protein Lipin-2, encoded by the LPIN2 gene, is integral to the metabolism of fatty acids, functioning as a phosphatidate phosphatase enzyme. It facilitates the conversion of phosphatidic acid into diacylglycerol, essential for the production of triglycerides and phospholipids. Lipin-2's activity is crucial in the endoplasmic reticulum membrane and it also acts as a coactivator for PPARGC1A, influencing lipid metabolism at the nuclear level.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in lipid biosynthesis and metabolism, Lipin-2 is directly associated with Majeed syndrome, marked by osteomyelitis, anemia, and dermatosis. Targeting Lipin-2's function offers a promising avenue for developing treatments for this syndrome and enhancing our understanding of lipid metabolism-related diseases.

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