Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our top-notch dedicated system is used to design specialised 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
Q7Z3J2
UPID:
VP35L_HUMAN
Alternative names:
Esophageal cancer-associated protein
Alternative UPACC:
Q7Z3J2; A8K2M1; O43329; Q69YI1; Q6PDA0; Q7L371; Q86W66; Q8WXA5; Q9H0L7; Q9H7C8
Background:
VPS35 endosomal protein-sorting factor-like, also known as Esophageal cancer-associated protein, plays a crucial role in cellular processes by acting as a component of the retriever complex. This complex is vital for the retrieval and recycling of various cargos, including integrin alpha-5/beta-1 and NxxY-motif-containing cargo proteins, essential for cell migration, adhesion, nutrient supply, and signaling. Additionally, it facilitates copper-dependent ATP7A trafficking, crucial for cellular copper homeostasis.
Therapeutic significance:
The involvement of VPS35 in Ritscher-Schinzel syndrome 3, characterized by a spectrum of developmental malformations, underscores its potential as a therapeutic target. Understanding the role of VPS35 could open doors to potential therapeutic strategies for treating this complex syndrome.