Focused On-demand Library for Immunity-related GTPase family M protein

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


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
A1A4Y4

UPID:
IRGM_HUMAN

ALTERNATIVE NAMES:
Immunity-related GTPase family M protein 1; Interferon-inducible protein 1; LPS-stimulated RAW 264.7 macrophage protein 47 homolog

ALTERNATIVE UPACC:
A1A4Y4; B3VEX0; H0YBM2

BACKGROUND:
The Immunity-related GTPase family M protein, known for its roles in immunity and inflammation, binds to intracellular membranes to promote their remodeling. It is integral in the autophagic clearance of infections and in regulating the inflammatory and interferon responses. This protein's actions include promoting mitophagy and the autophagic degradation of inflammation effectors, thereby acting as a suppressor of inflammation.

THERAPEUTIC SIGNIFICANCE:
The therapeutic significance of Immunity-related GTPase family M protein lies in its association with Inflammatory bowel disease 19. Its function in autophagy and inflammation suppression highlights its potential as a therapeutic target, offering new avenues for treatment strategies in managing gastrointestinal inflammatory conditions.

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