Focused On-demand Library for Phosphofurin acidic cluster sorting 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q6VY07

UPID:

PACS1_HUMAN

Alternative names:

Alternative UPACC:

Q6VY07; Q6PJY6; Q6PKB6; Q7Z590; Q7Z5W4; Q8N8K6; Q96MW0; Q9NW92; Q9ULP5

Background:

Phosphofurin acidic cluster sorting protein 1 plays a pivotal role in cellular processes, including the localization of trans-Golgi network membrane proteins and the trafficking of key molecules like furin and mannose-6-phosphate receptor. Its involvement in HIV-1 nef-mediated processes and ER Ca2+ handling underscores its importance in cellular functioning and immune response.

Therapeutic significance:

Linked to Schuurs-Hoeijmakers syndrome, a disorder characterized by intellectual disability and distinct physical features, this protein's genetic variants offer a target for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies.