Focused On-demand Library for Sorting nexin-9

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9Y5X1

UPID:

SNX9_HUMAN

Alternative names:

SH3 and PX domain-containing protein 1; SH3 and PX domain-containing protein 3A

Alternative UPACC:

Q9Y5X1; Q9BSI7; Q9BVM1; Q9UJH6; Q9UP20

Background:

Sorting nexin-9, known for its alternative names SH3 and PX domain-containing protein 1 and 3A, plays a pivotal role in cellular processes such as endocytosis, vesicle trafficking, and cytokinesis. It is essential for the normal formation of the cleavage furrow during mitosis, facilitating efficient cell division. Furthermore, it is involved in both clathrin-coated and clathrin-independent, actin-dependent fluid-phase endocytosis, contributing to macropinocytosis and the internalization of TNFR. Its role in promoting the degradation of EGFR post-EGF signaling and stimulating the GTPase activity of DNM1 underscores its significance in cellular signaling pathways.

Therapeutic significance:

Understanding the role of Sorting nexin-9 could open doors to potential therapeutic strategies.