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 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 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.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P30626
UPID:
SORCN_HUMAN
Alternative names:
22 kDa protein; CP-22; V19
Alternative UPACC:
P30626; A8MTH6; B4DKK2; D6W5Q0
Background:
Sorcin, a 22 kDa calcium-binding protein, plays a pivotal role in heart function by modulating excitation-contraction coupling and calcium homeostasis in the heart sarcoplasmic reticulum. It influences the activity of RYR2 calcium channels, essential for cardiac rhythm and contractility.
Therapeutic significance:
Understanding the role of Sorcin could open doors to potential therapeutic strategies. Its critical function in cardiac calcium regulation positions it as a key target for developing treatments aimed at heart diseases.