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.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


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
O43602

UPID:
DCX_HUMAN

ALTERNATIVE NAMES:
Doublin; Lissencephalin-X

ALTERNATIVE UPACC:
O43602; A6NFY6; A9Z1V8; D3DUY8; D3DUY9; D3DUZ0; O43911; Q5JYZ5

BACKGROUND:
The protein Neuronal migration protein doublecortin, known alternatively as Doublin or Lissencephalin-X, is crucial for cerebral cortex development. It competes with DCLK1 in binding to target proteins, participating in signaling pathways that are essential for neuronal migration, possibly as part of a calcium ion-dependent signal transduction pathway.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in diseases like Lissencephaly, X-linked 1, and Subcortical band heterotopia X-linked, the study of Neuronal migration protein doublecortin presents a promising avenue for therapeutic intervention. Its fundamental role in neuronal migration and cortex development makes it a key target for addressing these neurological conditions.

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