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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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
Q9H2C2

UPID:
ARV1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9H2C2; A8KAI4; Q5VSN7; Q5VSN8; Q5VSN9; Q5VSP0; Q5VSP2; Q9H2H2; Q9H5V6; Q9UFF5

BACKGROUND:
The Protein ARV1 is integral to the regulation of cholesterol and bile acid levels within the endoplasmic reticulum, participating in the essential process of sterol transport. Its activity is critical for the distribution of sterols to plasma membranes, a key step in cellular lipid management.

THERAPEUTIC SIGNIFICANCE:
Linked to the autosomal recessive condition Developmental and Epileptic Encephalopathy 38, Protein ARV1's involvement suggests a potential target for therapeutic intervention. Exploring the mechanisms by which Protein ARV1 influences DEE38 could lead to groundbreaking treatments for this and possibly other related neurological disorders.

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