Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated 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

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 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
P20827

UPID:
EFNA1_HUMAN

ALTERNATIVE NAMES:
EPH-related receptor tyrosine kinase ligand 1; Immediate early response protein B61; Tumor necrosis factor alpha-induced protein 4

ALTERNATIVE UPACC:
P20827; D3DV86; Q5SR60; Q5SR61; Q6I9T9; Q8N578

BACKGROUND:
Ephrin-A1, also recognized as Immediate early response protein B61, is a cell surface GPI-bound ligand crucial for the development of various tissues. It activates Eph receptors, leading to tyrosine phosphorylation, internalization, and degradation of EPHA2. This process is essential for vascular endothelial cell migration and the regulation of dendritic spine morphogenesis, showcasing its multifaceted role in biological systems.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ephrin-A1's functions offers promising avenues for therapeutic intervention. Its involvement in angiogenesis and the modulation of tumor neovascularization, coupled with its anti-oncogenic and regulatory effects on tumor cells, positions it as a key target in the development of novel cancer treatments.

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