Focused On-demand Library for Vacuolar protein-sorting-associated protein 36

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q86VN1

UPID:

VPS36_HUMAN

Alternative names:

ELL-associated protein of 45 kDa; ESCRT-II complex subunit VPS36

Alternative UPACC:

Q86VN1; A8K125; Q3ZCV7; Q5H9S1; Q5VXB6; Q9H8Z5; Q9Y3E3

Background:

Vacuolar protein-sorting-associated protein 36 (VPS36) is a pivotal component of the ESCRT-II complex, essential for multivesicular body (MVB) formation and the sorting of endosomal cargo proteins. This process is crucial for the degradation of transmembrane proteins within the lysosome. VPS36's role extends to recruiting the ESCRT-III complex and possibly regulating transcription through its interaction with ELL. Its affinity for ubiquitin and phosphoinosides underscores its significance in the endosomal sorting pathway.

Therapeutic significance:

Understanding the role of Vacuolar protein-sorting-associated protein 36 could open doors to potential therapeutic strategies.