Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P23297
UPID:
S10A1_HUMAN
Alternative names:
S-100 protein alpha chain; S-100 protein subunit alpha; S100 calcium-binding protein A1
Alternative UPACC:
P23297; B2R5D9; Q5T7Y3
Background:
Protein S100-A1, also known as S-100 protein alpha chain, plays a pivotal role in Ca(2+) homeostasis, chondrocyte biology, and cardiomyocyte regulation. It binds calcium in response to increased intracellular Ca(2+) levels, undergoing conformational changes that modulate the activity of target proteins. This protein is integral to a network in cardiomyocytes that controls sarcoplasmic reticulum Ca(2+) cycling and mitochondrial function, interacting with key components such as RYR1, RYR2, ATP2A2, and mitochondrial F1-ATPase.
Therapeutic significance:
Understanding the role of Protein S100-A1 could open doors to potential therapeutic strategies.