Focused On-demand Library for WD repeat and FYVE domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

We employ our advanced, specialised process to create 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

Q8IWB7

UPID:

WDFY1_HUMAN

Alternative names:

FYVE domain-containing protein localized to endosomes 1; Phosphoinositide-binding protein 1; WD40- and FYVE domain-containing protein 1; Zinc finger FYVE domain-containing protein 17

Alternative UPACC:

Q8IWB7; Q53S17; Q9H9D5; Q9P2B3

Background:

WD repeat and FYVE domain-containing protein 1, also known as phosphoinositide-binding protein 1, plays a crucial role in regulating TLR3- and TLR4-mediated signaling pathways. It facilitates the interaction between TLR3 or TLR4 and TICAM1, leading to the activation of transcription factors IRF3 and NF-kappa-B. This process is essential for the production of IFN-beta and inflammatory cytokines, highlighting its pivotal role in immune response modulation.

Therapeutic significance:

Understanding the role of WD repeat and FYVE domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways offers a promising avenue for the development of treatments targeting inflammatory and immune-related diseases.