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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O15119
UPID:
TBX3_HUMAN
Alternative names:
-
Alternative UPACC:
O15119; Q8TB20; Q9UKF8
Background:
T-box transcription factor TBX3 plays a pivotal role in developmental processes, including limb pattern formation and mammary gland development. It functions as a transcriptional repressor by binding to specific DNA sequences, influencing gene regulation in various tissues. TBX3's involvement in lung and inner ear development, as well as its role in cellular senescence, underscores its multifaceted biological significance.
Therapeutic significance:
TBX3's mutation leads to Ulnar-mammary syndrome, characterized by limb, mammary gland, and other developmental abnormalities. Understanding TBX3's function and its genetic variants offers a pathway to targeted therapies for this syndrome, highlighting the protein's therapeutic potential.