Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UJY1
UPID:
HSPB8_HUMAN
Alternative names:
Alpha-crystallin C chain; E2-induced gene 1 protein; Protein kinase H11; Small stress protein-like protein HSP22
Alternative UPACC:
Q9UJY1; B2R6A6; Q6FIH3; Q9UKS3
Background:
Heat shock protein beta-8, also known as Alpha-crystallin C chain, E2-induced gene 1 protein, Protein kinase H11, and Small stress protein-like protein HSP22, is encoded by the gene with the accession number Q9UJY1. It is characterized by its temperature-dependent chaperone activity, playing a crucial role in the cellular response to stress by preventing the aggregation of misfolded proteins.
Therapeutic significance:
The protein is implicated in two significant neuromuscular disorders: Neuronopathy, distal hereditary motor, 2A, and Charcot-Marie-Tooth disease, axonal, 2L. Both conditions are linked to the degeneration of motor neurons, leading to muscle weakness and atrophy. Understanding the role of Heat shock protein beta-8 in these diseases could open doors to potential therapeutic strategies, offering hope for targeted treatments.