Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P20336
UPID:
RAB3A_HUMAN
Alternative names:
-
Alternative UPACC:
P20336; A8K0J4; Q9NYE1
Background:
Ras-related protein Rab-3A plays a pivotal role in regulated exocytosis, controlling the recruitment, tethering, and docking of secretory vesicles to the plasma membrane. It transitions to an active GTP-bound form upon stimulation, facilitating the docking of vesicles through interaction with various effectors. This protein is crucial in stimulating insulin secretion in pancreatic beta cells and regulates calcium-dependent lysosome exocytosis and plasma membrane repair. Additionally, it supports acrosome content secretion in sperm cells and influences dopamine release.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-3A could open doors to potential therapeutic strategies.