Focused On-demand Library for Tumor necrosis factor alpha-induced protein 8-like protein 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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

Q5GJ75

UPID:

TP8L3_HUMAN

Alternative names:

Alternative UPACC:

Q5GJ75; Q6ZWD1

Background:

Tumor necrosis factor alpha-induced protein 8-like protein 3 plays a pivotal role in cellular signaling by acting as a lipid transfer protein. It specializes in capturing and shuttling key lipid second messengers, phosphatidylinositol 4,5-bisphosphate and phosphatidylinositol 3,4,5-trisphosphate, to the plasma membrane, thereby enhancing their concentrations. This protein is also implicated in the regulation of the PI3K-AKT and MEK-ERK pathways, potentially through lipid presentation, which is crucial for cell survival, proliferation, and tumorigenesis.

Therapeutic significance:

Understanding the role of Tumor necrosis factor alpha-induced protein 8-like protein 3 could open doors to potential therapeutic strategies.