Focused On-demand Library for Heme transporter FLVCR2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.