Focused On-demand Library for Protein ARV1

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.

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.

Our top-notch dedicated system is used to design specialised 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

Q9H2C2

UPID:

ARV1_HUMAN

Alternative names:

Alternative UPACC:

Q9H2C2; A8KAI4; Q5VSN7; Q5VSN8; Q5VSN9; Q5VSP0; Q5VSP2; Q9H2H2; Q9H5V6; Q9UFF5

Background:

Protein ARV1 plays a crucial role in mediating endoplasmic reticulum (ER) cholesterol and bile acid homeostasis. It is involved in sterol transport out of the ER, ensuring proper distribution into plasma membranes. This protein's function is pivotal in maintaining cellular lipid balance, a fundamental aspect of cell biology and metabolism.

Therapeutic significance:

Protein ARV1 is linked to Developmental and Epileptic Encephalopathy 38 (DEE38), a severe early-onset epilepsy with neurodevelopmental impairment. Understanding the role of Protein ARV1 could open doors to potential therapeutic strategies for treating DEE38, offering hope for patients and families affected by this devastating condition.