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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H2C2
UPID:
ARV1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H2C2; A8KAI4; Q5VSN7; Q5VSN8; Q5VSN9; Q5VSP0; Q5VSP2; Q9H2H2; Q9H5V6; Q9UFF5
Background:
Protein ARV1 plays a crucial role in mediating endoplasmic reticulum (ER) cholesterol and bile acid homeostasis. It is involved in sterol transport out of the ER, ensuring proper distribution into plasma membranes. This protein's function is pivotal in maintaining cellular lipid balance, a fundamental aspect of cell biology and metabolism.
Therapeutic significance:
Protein ARV1 is linked to Developmental and Epileptic Encephalopathy 38 (DEE38), a severe early-onset epilepsy with neurodevelopmental impairment. Understanding the role of Protein ARV1 could open doors to potential therapeutic strategies for treating DEE38, offering hope for patients and families affected by this devastating condition.