Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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 employ our advanced, specialised process to create targeted 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
Q5JT25
UPID:
RAB41_HUMAN
Alternative names:
-
Alternative UPACC:
Q5JT25; Q17RQ0
Background:
Ras-related protein Rab-41 plays a crucial role in maintaining the normal Golgi ribbon organization and ensuring efficient ER-to-Golgi trafficking. This protein is essential for the proper functioning of cellular transport mechanisms, which are critical for the delivery of proteins and lipids to their correct destinations within the cell.
Therapeutic significance:
Understanding the role of Ras-related protein Rab-41 could open doors to potential therapeutic strategies. Its pivotal role in cellular transport processes makes it an intriguing target for research aimed at addressing various cellular dysfunctions.