Focused On-demand Library for Guanylate-binding protein 1

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P32455

UPID:

GBP1_HUMAN

Alternative names:

GTP-binding protein 1; Guanine nucleotide-binding protein 1; Interferon-induced guanylate-binding protein 1

Alternative UPACC:

P32455; D3DT26; Q5T8M1

Background:

Guanylate-binding protein 1, also known as GTP-binding protein 1, plays a pivotal role in innate immunity. It is involved in the defense against a wide array of pathogens including bacteria, viruses, and protozoans by hydrolyzing GTP in a processive manner. This protein is crucial in promoting autophagy and inflammasome assembly upon infection, facilitating the lysis of pathogen-containing vacuoles and the release of inflammasome ligands.

Therapeutic significance:

Understanding the role of Guanylate-binding protein 1 could open doors to potential therapeutic strategies. Its ability to regulate bacteriolytic peptide generation and inflammasome assembly highlights its significance in controlling bacterial infections and suggests its potential as a target in developing treatments for infectious diseases.