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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
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.
Key features that set our library apart include:
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.