Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q14257
UPID:
RCN2_HUMAN
Alternative names:
Calcium-binding protein ERC-55; E6-binding protein
Alternative UPACC:
Q14257; A8MTG6; F8WCY5; Q53XN8
Background:
Reticulocalbin-2, also known as Calcium-binding protein ERC-55 or E6-binding protein, is a protein that plays a crucial role in calcium binding. Its unique structure allows it to interact with calcium ions, suggesting a significant function in cellular processes that involve calcium signaling.
Therapeutic significance:
Understanding the role of Reticulocalbin-2 could open doors to potential therapeutic strategies. Its involvement in calcium signaling pathways hints at its importance in cellular functions, making it a target of interest for drug discovery efforts aimed at treating diseases linked to calcium dysregulation.