Focused On-demand Library for Vacuolar protein sorting-associated protein 4A

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q9UN37

UPID:

VPS4A_HUMAN

Alternative names:

Protein SKD2; VPS4-1

Alternative UPACC:

Q9UN37; B2RCB7; Q8TF07; Q9UI03; Q9Y582

Background:

Vacuolar protein sorting-associated protein 4A (VPS4A), also known as Protein SKD2 and VPS4-1, plays a crucial role in the endosomal multivesicular bodies (MVB) pathway. It is essential for the disassembly of membrane-associated ESCRT-III assemblies, aiding in the regulation of endosome size, primary cilium organization, and mitotic spindle organization. VPS4A is also pivotal in cytokinesis, chromosome segregation, and nuclear envelope sealing.

Therapeutic significance:

The involvement of VPS4A in CIMDAG syndrome, characterized by developmental delay, intellectual disability, and hematologic abnormalities, underscores its therapeutic significance. Understanding the role of VPS4A could open doors to potential therapeutic strategies for treating CIMDAG syndrome and improving patient outcomes.