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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P26678
UPID:
PPLA_HUMAN
Alternative names:
-
Alternative UPACC:
P26678
Background:
Cardiac phospholamban plays a pivotal role in heart muscle function by modulating the ATP2A2 activity, crucial for calcium homeostasis and muscle relaxation. Its regulatory function on calcium re-uptake during muscle relaxation impacts heart contractility and rhythm.
Therapeutic significance:
Given its involvement in dilated and familial hypertrophic cardiomyopathy, understanding the role of Cardiac phospholamban could lead to novel therapeutic strategies targeting heart muscle diseases, potentially improving patient outcomes and survival rates.