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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P25815
UPID:
S100P_HUMAN
Alternative names:
Migration-inducing gene 9 protein; Protein S100-E; S100 calcium-binding protein P
Alternative UPACC:
P25815; Q5J7W2
Background:
Protein S100-P, also known as Migration-inducing gene 9 protein, Protein S100-E, and S100 calcium-binding protein P, plays a pivotal role in cellular processes. It acts as a calcium sensor, contributing to cellular calcium signaling and interacting with proteins like EZR and PPP5C. This interaction is crucial for physiological processes such as microvilli formation in epithelial cells and may also stimulate cell proliferation via RAGE activation.
Therapeutic significance:
Understanding the role of Protein S100-P could open doors to potential therapeutic strategies.