Focused On-demand Library for Influenza virus NS1A-binding protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q9Y6Y0

UPID:

NS1BP_HUMAN

Alternative names:

Aryl hydrocarbon receptor-associated protein 3; Kelch-like protein 39

Alternative UPACC:

Q9Y6Y0; A8K8R6; Q1G4T6; Q1G4T7; Q5TF75; Q6NW38; Q7LCG2; Q9NZX0; Q9Y480

Background:

The Influenza virus NS1A-binding protein, also known as Aryl hydrocarbon receptor-associated protein 3 or Kelch-like protein 39, plays a pivotal role in cellular functions such as pre-mRNA splicing, the AHR pathway, F-actin organization, and protein ubiquitination. It stabilizes actin filaments, protects against cell death, modifies the AHR pathway, and regulates ubiquitin-mediated proteolysis of tumor suppressors.

Therapeutic significance:

Linked to Immunodeficiency 70, characterized by HPV-associated warts, recurrent infections, and autoinflammatory features, this protein's understanding could lead to novel therapeutic strategies for managing this immunodeficiency and potentially other related autoimmune disorders.