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.
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.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P09429
UPID:
HMGB1_HUMAN
Alternative names:
High mobility group protein 1
Alternative UPACC:
P09429; A5D8W9; Q14321; Q5T7C3; Q6IBE1
Background:
High mobility group protein B1 (HMGB1) serves as a pivotal redox-sensitive protein with diverse roles across cellular compartments. It functions as a DNA chaperone in the nucleus, facilitating replication, transcription, and DNA repair, thereby maintaining genome stability. HMGB1 acts as a sensor for immunogenic nucleic acids in the cytoplasm, triggering autophagy and immune responses. Additionally, it plays a role in inflammation, tissue repair, and immune system modulation by acting as a danger-associated molecular pattern (DAMP) molecule.
Therapeutic significance:
Understanding the role of High mobility group protein B1 could open doors to potential therapeutic strategies.