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.


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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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
Q99653

UPID:
CHP1_HUMAN

ALTERNATIVE NAMES:
Calcineurin B-like protein; Calcium-binding protein CHP; Calcium-binding protein p22; EF-hand calcium-binding domain-containing protein p22

ALTERNATIVE UPACC:
Q99653; B2R6H9; Q6FHZ9

BACKGROUND:
The Calcineurin B homologous protein 1, with alternative names such as Calcium-binding protein p22, is integral to cell pH regulation, vesicular trafficking, and gene transcription. It inhibits serum- and GTPase-stimulated Na+/H+ exchange, playing a key role in the stabilization and localization of SLC9A1/NHE1 at the plasma membrane. Additionally, it acts as a negative regulator of the calcineurin/NFAT signaling pathway and kinase activity of STK17B, illustrating its significant role in cellular signaling and homeostasis.

THERAPEUTIC SIGNIFICANCE:
The association of Calcineurin B homologous protein 1 with Spastic ataxia 9, autosomal recessive, underscores its therapeutic potential. By elucidating its role in this disorder, characterized by spastic paraparesis and intellectual disability, novel therapeutic avenues may be explored, offering hope for patients suffering from this and potentially other related neurological conditions.

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