Focused On-demand Library for ATP-binding cassette sub-family B member 10, mitochondrial

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create 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.

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

Q9NRK6

UPID:

ABCBA_HUMAN

Alternative names:

ABC-mitochondrial erythroid protein; ATP-binding cassette transporter 10; Mitochondrial ATP-binding cassette 2

Alternative UPACC:

Q9NRK6; Q13040; Q6P1Q8; Q9H3V0

Background:

ATP-binding cassette sub-family B member 10, mitochondrial (ABCB10), also known as ABC-mitochondrial erythroid protein, plays a crucial role in cellular processes. It catalyzes the ATP-dependent export of physiological substrates from the mitochondrial matrix to the cytosol, contributing to the heme biosynthetic process by facilitating the insertion of iron into protoporphyrin IX. This process is vital for hemoglobin synthesis and protection against oxidative stress. ABCB10's involvement in the mitochondrial unfolded protein response (UPRmt) signaling pathway highlights its significance in maintaining mitochondrial function.

Therapeutic significance:

Understanding the role of ATP-binding cassette sub-family B member 10, mitochondrial could open doors to potential therapeutic strategies. Its pivotal role in hemoglobin synthesis and mitochondrial protection suggests that targeting ABCB10 could offer novel approaches for treating conditions related to oxidative stress and mitochondrial dysfunction.