Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O75712
UPID:
CXB3_HUMAN
Alternative names:
Connexin-31
Alternative UPACC:
O75712; B2R790; Q2TAZ8
Background:
Gap junction beta-3 protein, also known as Connexin-31, plays a pivotal role in cell communication. It forms gap junctions, facilitating the diffusion of low molecular weight materials between cells. This protein's unique structure and function underscore its importance in maintaining cellular harmony and function.
Therapeutic significance:
Connexin-31 is implicated in Erythrokeratodermia variabilis et progressiva 1, characterized by skin lesions and palmoplantar keratoderma, and autosomal dominant Deafness, 2B, marked by progressive hearing loss. Targeting Connexin-31 could lead to novel treatments for these conditions, highlighting the therapeutic potential of understanding its mechanisms.