Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P04792
UPID:
HSPB1_HUMAN
Alternative names:
28 kDa heat shock protein; Estrogen-regulated 24 kDa protein; Heat shock 27 kDa protein; Stress-responsive protein 27
Alternative UPACC:
P04792; B2R4N8; Q6FI47; Q96C20; Q96EI7; Q9UC31; Q9UC34; Q9UC35; Q9UC36
Background:
Heat shock protein beta-1, also known as HSPB1, plays a crucial role in cellular stress response. It functions as a molecular chaperone, aiding in the proper folding of denatured proteins, and is involved in stress resistance and actin organization. HSPB1 is pivotal in regulating biological processes such as phosphorylation and axonal transport of neurofilament proteins.
Therapeutic significance:
HSPB1 is linked to Charcot-Marie-Tooth disease, axonal, 2F, and Neuronopathy, distal hereditary motor, 2B. These associations highlight its potential as a target for therapeutic strategies aimed at treating these neurodegenerative disorders.