Focused On-demand Library for Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Q86UL8

UPID:

MAGI2_HUMAN

Alternative names:

Atrophin-1-interacting protein 1; Atrophin-1-interacting protein A; Membrane-associated guanylate kinase inverted 2

Alternative UPACC:

Q86UL8; A4D1C1; A7E2C3; O60434; O60510; Q86UI7; Q9NP44; Q9UDQ5; Q9UDU1

Background:

Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, also known as Atrophin-1-interacting protein 1, plays a crucial role in synaptic junctions, nerve growth, and cellular signaling. Its involvement in activin-mediated signaling and enhancement of PTEN's ability to suppress AKT1 activation highlights its multifaceted role in cellular processes.

Therapeutic significance:

Given its role in Nephrotic syndrome 15, a renal disease with severe complications, understanding the function of Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2 could pave the way for novel therapeutic strategies targeting renal pathologies.