Focused On-demand Library for Protein transport protein Sec31A

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

O94979

UPID:

SC31A_HUMAN

Alternative names:

ABP125; ABP130; SEC31-like protein 1; SEC31-related protein A; Web1-like protein

Alternative UPACC:

O94979; B4DIW6; B7ZKZ7; B7ZL00; H7C2W3; Q17RR5; Q5H9P6; Q5XG74; Q659G7; Q6ZU90; Q7LCX9; Q86TJ0; Q8IZH4; Q9P048; Q9P0A6; Q9UM05; Q9UM06

Background:

Protein transport protein Sec31A, known by alternative names such as ABP125 and SEC31-like protein 1, plays a crucial role in cellular logistics. It is a component of the COPII complex, essential for forming transport vesicles from the endoplasmic reticulum, facilitating the physical deformation of membranes into vesicles and selecting cargo molecules for transport.

Therapeutic significance:

Given its involvement in Halperin-Birk syndrome, a neurodevelopmental disorder with severe outcomes, understanding the role of Protein transport protein Sec31A could open doors to potential therapeutic strategies. Its pivotal role in vesicle formation and cargo selection makes it a promising target for addressing the underlying cellular malfunctions in this syndrome.