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 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 use our state-of-the-art dedicated workflow for designing focused 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
P10600
UPID:
TGFB3_HUMAN
Alternative names:
-
Alternative UPACC:
P10600; Q8WV88
Background:
Transforming growth factor beta-3 proprotein plays a pivotal role in embryogenesis and cell differentiation. It acts as a precursor to the regulatory and active subunits of TGF-beta-3, essential for maintaining the protein in a latent state within the extracellular matrix. Its activation involves complex interactions with integrins and milieu molecules, crucial for its release and subsequent biological functions.
Therapeutic significance:
Linked to Arrhythmogenic right ventricular dysplasia and Loeys-Dietz syndrome 5, TGF-beta-3's involvement in congenital heart diseases and systemic disorders underscores its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for these conditions.