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.
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 employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9NS15
UPID:
LTBP3_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NS15; O15107; Q96HB9; Q9H7K2; Q9UFN4
Background:
Latent-transforming growth factor beta-binding protein 3 plays a pivotal role in regulating the availability of TGF-beta, a key modulator in cellular processes such as proliferation, differentiation, and repair. It ensures TGF-beta remains inactive in the extracellular matrix until integrin interaction triggers its release and activation.
Therapeutic significance:
Given its central role in TGF-beta pathway regulation, Latent-transforming growth factor beta-binding protein 3 is implicated in diseases like Dental anomalies and short stature, and Geleophysic dysplasia 3. Targeting this protein could offer novel therapeutic avenues for these conditions.