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.
We use our state-of-the-art dedicated workflow for designing 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
P47929
UPID:
LEG7_HUMAN
Alternative names:
HKL-14; PI7; p53-induced gene 1 protein
Alternative UPACC:
P47929; Q6IB87
Background:
Galectin-7, also known by its alternative names HKL-14, PI7, and p53-induced gene 1 protein, plays a crucial role in cell-cell and cell-matrix interactions, which are vital for normal growth control. It is a pro-apoptotic protein that operates intracellularly, activating JNK and facilitating cytochrome c release.
Therapeutic significance:
Understanding the role of Galectin-7 could open doors to potential therapeutic strategies, given its fundamental involvement in growth control and apoptosis.