Focused On-demand Library for X-box-binding protein 1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

P17861

UPID:

XBP1_HUMAN

Alternative names:

Tax-responsive element-binding protein 5

Alternative UPACC:

P17861; Q8WYK6; Q969P1; Q96BD7

Background:

X-box-binding protein 1 (XBP1) functions as a crucial transcription factor during endoplasmic reticulum (ER) stress, regulating the unfolded protein response (UPR). It plays a pivotal role in embryonic development, B lymphocyte differentiation, and cellular response to ER stress. XBP1 is also involved in angiogenesis and insulin resistance, highlighting its significance in both developmental processes and disease states.

Therapeutic significance:

Understanding the role of XBP1 could open doors to potential therapeutic strategies for major affective disorder 7, where its gene variants may influence disease susceptibility. Its involvement in ER stress and the UPR pathway offers a promising target for addressing psychiatric disorders and metabolic diseases.