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.
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
Q9UMR3
UPID:
TBX20_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UMR3; A4D1Y6; Q000T4; Q0IJ70; Q0VAS1; Q9Y2N5
Background:
T-box transcription factor TBX20 plays a pivotal role in cardiac development, acting as both a transcriptional activator and repressor. Its functions are crucial for the maintenance of functional and structural phenotypes in the adult heart, highlighting its significance in cardiac biology.
Therapeutic significance:
Given its involvement in Atrial septal defect 4, a congenital heart malformation, TBX20 is a prime target for therapeutic intervention. Understanding the role of T-box transcription factor TBX20 could open doors to potential therapeutic strategies, offering hope for patients with this and potentially other cardiac abnormalities.