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.
Our high-tech, dedicated method is applied to construct targeted 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
Q8TD06
UPID:
AGR3_HUMAN
Alternative names:
Anterior gradient 3 homolog; Breast cancer membrane protein 11; Protein disulfide isomerase family A, member 18
Alternative UPACC:
Q8TD06; A4D120
Background:
Anterior gradient protein 3, also known as Breast cancer membrane protein 11 and Protein disulfide isomerase family A, member 18, plays a crucial role in calcium-mediated regulation of ciliary beat frequency and mucociliary clearance in the airway. This protein's involvement in regulating intracellular calcium in tracheal epithelial cells underscores its importance in respiratory health.
Therapeutic significance:
Understanding the role of Anterior gradient protein 3 could open doors to potential therapeutic strategies. Its pivotal function in maintaining respiratory health by regulating mucociliary clearance highlights its potential as a target for treating respiratory conditions.