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 for ion channels.
Fig. 1. The sreening workflow of Receptor.AI
It features detailed molecular simulations of the ion channel in its native membrane environment across its open, closed, and inactivated forms, coupled with ensemble virtual screening considering conformational mobility in these states. Potential binding sites are explored within the pore, in the gating region, and at allosteric locations to encompass all potential mechanisms of action.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q13936
UPID:
CAC1C_HUMAN
Alternative names:
Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle; Voltage-gated calcium channel subunit alpha Cav1.2
Alternative UPACC:
Q13936; B2RUT3; E9PDJ0; Q13917; Q13918; Q13919; Q13920; Q13921; Q13922; Q13923; Q13924; Q13925; Q13926; Q13927; Q13928; Q13929; Q13930; Q13932; Q13933; Q14743; Q14744; Q15877; Q4VMI7; Q4VMI8; Q4VMI9; Q6PKM7; Q8N6C0; Q99025; Q99241; Q99875
Background:
The Voltage-dependent L-type calcium channel subunit alpha-1C, also known as Cav1.2, plays a pivotal role in cardiac and smooth muscle function. It facilitates the influx of calcium ions, essential for muscle contraction and heart rhythm regulation. Additionally, it serves as a receptor for Influenzavirus, highlighting its significance in viral entry into lung tissues.
Therapeutic significance:
Given its involvement in Timothy syndrome, Brugada syndrome 3, Long QT syndrome 8, and neurodevelopmental disorders, Cav1.2 represents a critical target for therapeutic intervention. Understanding its function could lead to breakthroughs in treating heart diseases and developmental disorders.