AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Heme transporter FLVCR2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9UPI3

UPID:

FLVC2_HUMAN

Alternative names:

Calcium-chelate transporter; Feline leukemia virus subgroup C receptor-related protein 2

Alternative UPACC:

Q9UPI3; B7Z485; Q53ZT9; Q96JY3; Q9NX90

Background:

The Heme transporter FLVCR2, also known as Calcium-chelate transporter and related to Feline leukemia virus subgroup C receptor protein 2, plays a crucial role in heme homeostasis. It acts as a putative heme b importer/sensor, adjusting mitochondrial respiration, ATP synthesis, and thermogenesis in response to cellular and dietary heme levels. Its interaction with electron transfer chain complexes and ATP2A2 is pivotal in regulating energy production processes.

Therapeutic significance:

Proliferative vasculopathy and hydranencephaly-hydrocephaly syndrome, a rare and prenatally lethal disorder, is linked to mutations affecting FLVCR2. Understanding the role of Heme transporter FLVCR2 could open doors to potential therapeutic strategies for this devastating condition.

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