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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 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.
Key features that set our library apart include:
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.