Focused On-demand Library for AP-4 complex subunit sigma-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q9Y587

UPID:

AP4S1_HUMAN

Alternative names:

AP-4 adaptor complex subunit sigma-1; Adaptor-related protein complex 4 subunit sigma-1; Sigma-1 subunit of AP-4; Sigma-4-adaptin

Alternative UPACC:

Q9Y587; G3V2N8; Q6IAQ4; Q86U36; Q9BVE7

Background:

AP-4 complex subunit sigma-1, also known as Adaptor-related protein complex 4 subunit sigma-1, plays a crucial role in vesicular transport processes. It is a component of the adaptor protein complex 4 (AP-4), which is involved in forming vesicle coats not associated with clathrin, facilitating the transport of proteins from the trans-Golgi network to the endosomal-lysosomal system. This protein is essential for the sorting of proteins to the basolateral membrane in epithelial cells and for the asymmetric localization of somatodendritic proteins in neurons.

Therapeutic significance:

AP-4 complex subunit sigma-1's involvement in Spastic paraplegia 52, a neurodegenerative disorder, highlights its potential as a target for therapeutic intervention. Understanding the role of AP-4 complex subunit sigma-1 could open doors to potential therapeutic strategies for treating this debilitating condition.