AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein ARV1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.

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