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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct 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 stands out due to several important features:
partner
Reaxense
upacc
Q6VY07
UPID:
PACS1_HUMAN
Alternative names:
-
Alternative UPACC:
Q6VY07; Q6PJY6; Q6PKB6; Q7Z590; Q7Z5W4; Q8N8K6; Q96MW0; Q9NW92; Q9ULP5
Background:
Phosphofurin acidic cluster sorting protein 1 plays a pivotal role in cellular processes, including the localization of trans-Golgi network membrane proteins and the trafficking of key molecules like furin and mannose-6-phosphate receptor. Its involvement in HIV-1 nef-mediated processes and ER Ca2+ handling underscores its importance in cellular functioning and immune response.
Therapeutic significance:
Linked to Schuurs-Hoeijmakers syndrome, a disorder characterized by intellectual disability and distinct physical features, this protein's genetic variants offer a target for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies.