Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P16615
UPID:
AT2A2_HUMAN
Alternative names:
Calcium pump 2; Calcium-transporting ATPase sarcoplasmic reticulum type, slow twitch skeletal muscle isoform; Endoplasmic reticulum class 1/2 Ca(2+) ATPase
Alternative UPACC:
P16615; A6NDN7; B4DF05; P16614; Q86VJ2
Background:
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (SERCA2) plays a pivotal role in calcium homeostasis, crucial for muscle function and intracellular signaling. This magnesium-dependent enzyme facilitates ATP hydrolysis coupled with calcium translocation, influencing processes from autophagy to lipid metabolism. Its alternative names include Calcium pump 2 and Calcium-transporting ATPase sarcoplasmic reticulum type.
Therapeutic significance:
SERCA2's involvement in diseases like Acrokeratosis verruciformis and Darier disease highlights its clinical importance. Understanding SERCA2's function could lead to breakthroughs in treating these skin disorders, offering hope for targeted therapies that address the underlying genetic causes.