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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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
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:
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.