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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NTQ9
UPID:
CXB4_HUMAN
Alternative names:
Connexin-30.3
Alternative UPACC:
Q9NTQ9; B3KQ82
Background:
Gap junction beta-4 protein, also known as Connexin-30.3, 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. This protein's function is crucial for maintaining the physiological balance within tissues.
Therapeutic significance:
The protein is linked to Erythrokeratodermia variabilis et progressiva 2, a skin disorder characterized by erythema and hyperkeratosis. Understanding the role of Gap junction beta-4 protein could open doors to potential therapeutic strategies for this condition, highlighting its significance in dermatological research and treatment.