Focused On-demand Library for Sorting nexin-33

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.

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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8WV41

UPID:

SNX33_HUMAN

Alternative names:

SH3 and PX domain-containing protein 3

Alternative UPACC:

Q8WV41; B1NM17

Background:

Sorting nexin-33, also known as SH3 and PX domain-containing protein 3, is pivotal in cellular processes including cytoskeleton reorganization, endocytosis, and vesicle trafficking. It interacts with membranes and proteins like WASL, DNM1, and DNM2 to facilitate these processes. Its role is crucial both during interphase and mitotic cell divisions, ensuring efficient mitosis and cytokinesis. Additionally, it influences the endocytosis of cell-surface proteins such as APP and PRNP, affecting their secretion and potentially modulating cellular signaling pathways.

Therapeutic significance:

Understanding the role of Sorting nexin-33 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes and modulation of protein secretion highlights its potential as a target for therapeutic intervention in diseases where these pathways are dysregulated.