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

Focused On-demand Libraries - Reaxense 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 our associate 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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Reaxense

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:

Immunity-related GTPase family M protein, also known as Interferon-inducible protein 1, plays pivotal roles in innate immunity and inflammatory responses. It acts as a dynamin-like protein, essential for membrane remodeling and trafficking, and is crucial in clearing acute protozoan and bacterial infections. This protein facilitates the fusion of phagosomes with lysosomes, regulates selective autophagy, and modulates autophagy to prevent lysosomal deacidification.

Therapeutic significance:

Given its involvement in Inflammatory bowel disease 19, understanding the role of Immunity-related GTPase family M protein could open doors to potential therapeutic strategies. Its ability to regulate autophagy and inflammatory responses positions it as a target for developing treatments for gastrointestinal disorders.