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 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P29033
UPID:
CXB2_HUMAN
Alternative names:
Connexin-26
Alternative UPACC:
P29033; Q508A5; Q508A6; Q5YLL0; Q5YLL1; Q5YLL4; Q6IPV5; Q86U88; Q96AK0; Q9H536; Q9NNY4
Background:
Gap junction beta-2 protein, also known as Connexin-26, plays a pivotal role as a structural component of gap junctions. These junctions are essential for cell-to-cell communication, allowing the transfer of small molecules and ions between adjacent cells. The protein's structure involves the formation of dodecameric channels through the docking of hexameric hemichannels from each cell membrane.
Therapeutic significance:
Connexin-26 is implicated in a variety of diseases, including several forms of non-syndromic sensorineural hearing loss and skin disorders such as Vohwinkel syndrome and Bart-Pumphrey syndrome. Understanding the role of Gap junction beta-2 protein in these conditions could lead to the development of targeted therapies, offering hope for patients suffering from these genetic disorders.