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.


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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P21453

UPID:
S1PR1_HUMAN

ALTERNATIVE NAMES:
Endothelial differentiation G-protein coupled receptor 1; Sphingosine 1-phosphate receptor Edg-1

ALTERNATIVE UPACC:
P21453; D3DT66; Q9BYY4; Q9NYN8

BACKGROUND:
Sphingosine 1-phosphate receptor 1, known alternatively as Edg-1, is integral to various physiological processes including chemotaxis toward sphingosine 1-phosphate, embryonic heart development, and bone homeostasis. It mediates its effects by coupling with G(i) heteromeric G proteins, leading to activation of several downstream signaling pathways essential for cellular migration, angiogenesis, and bone mineralization.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Sphingosine 1-phosphate receptor 1 offers a promising avenue for developing novel therapeutic approaches. Given its involvement in critical processes such as cardiac morphogenesis, angiogenesis, and immune cell migration, targeting S1P1 could provide innovative treatments for heart diseases, osteoporosis, and immune-related conditions.

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