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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
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.