Focused On-demand Library for Protein Daple

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our top-notch dedicated system is used to design specialised 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

Q9P219

UPID:

DAPLE_HUMAN

Alternative names:

Coiled-coil domain-containing protein 88C; Dvl-associating protein with a high frequency of leucine residues; Hook-related protein 2

Alternative UPACC:

Q9P219; Q69YK1; Q7L1M2; Q86SX7; Q8IYG8

Background:

Protein Daple, known for its alternative names such as Coiled-coil domain-containing protein 88C, plays a pivotal role in non-canonical Wnt signaling. It activates G-proteins, interacts with the Wnt receptor FZD7, and facilitates non-canonical Wnt responses, including RAC1 and PI3K-AKT signaling pathways. This protein's ability to promote apical constriction of cells underscores its significance in cellular processes.

Therapeutic significance:

Protein Daple's involvement in congenital hydrocephalus and spinocerebellar ataxia 40 highlights its potential as a therapeutic target. Understanding its role in these diseases could pave the way for innovative treatments, emphasizing the importance of research in this area.