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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O95935
UPID:
TBX18_HUMAN
Alternative names:
-
Alternative UPACC:
O95935; A2RU13; Q7Z6U4; Q9UJI6
Background:
T-box transcription factor TBX18 plays a pivotal role in the development of various tissues and organs, including the heart, coronary vessels, ureter, and vertebral column. It functions as a transcriptional repressor, essential for the embryonic development of the sinoatrial node (SAN) head area, highlighting its critical role in early human development.
Therapeutic significance:
The protein is linked to Congenital anomalies of kidney and urinary tract 2, a disorder leading to chronic kidney disease in children. Understanding the role of T-box transcription factor TBX18 could open doors to potential therapeutic strategies for this debilitating condition.