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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P36382
UPID:
CXA5_HUMAN
Alternative names:
Connexin-40
Alternative UPACC:
P36382; Q5T3B6; Q5U0N6
Background:
Gap junction alpha-5 protein, also known as Connexin-40, plays a pivotal role in cell communication by forming channels that allow the diffusion of small molecules between adjacent cells. This protein is essential for the coordinated function of tissues, particularly in the heart where it facilitates electrical conduction.
Therapeutic significance:
Mutations in Gap junction alpha-5 protein are linked to Atrial standstill 1 and Familial Atrial fibrillation, 11. These conditions underscore the protein's critical role in maintaining heart rhythm. Understanding the role of Gap junction alpha-5 protein could open doors to potential therapeutic strategies for these arrhythmias.