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 employ our advanced, specialised process to create targeted 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P33764
UPID:
S10A3_HUMAN
Alternative names:
Protein S-100E; S100 calcium-binding protein A3
Alternative UPACC:
P33764; D3DV51; Q6FGE4
Background:
Protein S100-A3, also known as Protein S-100E and S100 calcium-binding protein A3, plays a crucial role in the body's biological processes. It uniquely binds both calcium and zinc, indicating its versatile function in cellular activities. This protein is particularly significant in the differentiation of cuticle cells, as well as in the formation of the hair shaft and the hair cuticular barrier, which are essential for hair health and integrity.
Therapeutic significance:
Understanding the role of Protein S100-A3 could open doors to potential therapeutic strategies. Its involvement in calcium-dependent processes suggests its potential impact on skin and hair health, making it a target for developing treatments aimed at improving or restoring hair and cuticle cell function.