Focused On-demand Library for Lysophosphatidic acid receptor 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


Our high-tech, dedicated method is applied to construct targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q92633

UPID:
LPAR1_HUMAN

ALTERNATIVE NAMES:
Lysophosphatidic acid receptor Edg-2

ALTERNATIVE UPACC:
Q92633; B4DK36; O00656; O00722; P78351

BACKGROUND:
The Lysophosphatidic acid receptor 1, alternatively named Edg-2, serves as a receptor for LPA, influencing cell migration, differentiation, and proliferation. It activates signaling cascades via G protein families, modulating adenylyl cyclase activity, cytoplasmic Ca(2+) levels, and MAP kinase activation. Its functions extend to actin cytoskeleton reorganization, promoting Rho-dependent stress fibers and lamellipodia formation. LPA1's involvement in chemotaxis, inflammation, cell proliferation, and neuronal development underscores its biological significance.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Lysophosphatidic acid receptor 1 could open doors to potential therapeutic strategies.

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