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.
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 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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P50452
UPID:
SPB8_HUMAN
Alternative names:
Cytoplasmic antiproteinase 2; Peptidase inhibitor 8
Alternative UPACC:
P50452; B4DTW2; Q7Z2V6; Q8N178
Background:
Serpin B8, also known as Cytoplasmic antiproteinase 2 and Peptidase inhibitor 8, plays a crucial role in epithelial desmosome-mediated cell-cell adhesion. This protein's involvement in maintaining the integrity of the epidermis is vital for skin health.
Therapeutic significance:
Linked to Peeling skin syndrome 5, a condition characterized by continuous shedding of the epidermis, Serpin B8's study offers insights into potential treatments. Understanding the role of Serpin B8 could open doors to potential therapeutic strategies.