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.
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.
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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P08238
UPID:
HS90B_HUMAN
Alternative names:
Heat shock 84 kDa
Alternative UPACC:
P08238; B2R5P0; Q5T9W7; Q9NQW0; Q9NTK6
Background:
Heat shock protein HSP 90-beta, also known as Heat shock 84 kDa, is a molecular chaperone crucial for the maturation, structural maintenance, and regulation of specific target proteins. It plays a pivotal role in cell cycle control, signal transduction, and transcription machinery regulation. Through its ATPase activity, HSP 90-beta undergoes a functional cycle that likely induces conformational changes in client proteins, leading to their activation. It interacts with various co-chaperones to modulate substrate recognition and chaperone function.
Therapeutic significance:
Understanding the role of Heat shock protein HSP 90-beta could open doors to potential therapeutic strategies.