Focused On-demand Library for Mitochondrial proton/calcium exchanger protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 use our state-of-the-art dedicated workflow for designing focused 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.

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

O95202

UPID:

LETM1_HUMAN

Alternative names:

Electroneutral mitochondrial K(+)/H(+)exchanger; Leucine zipper-EF-hand-containing transmembrane protein 1

Alternative UPACC:

O95202; B4DED2; Q9UF65

Background:

The Mitochondrial proton/calcium exchanger protein, also known as Electroneutral mitochondrial K(+)/H(+) exchanger and Leucine zipper-EF-hand-containing transmembrane protein 1, is pivotal in maintaining mitochondrial morphology. It mediates calcium or potassium/proton antiport, crucial for mitochondrial tubular networks and respiratory chain supercomplexes assembly. Its role extends to proton-dependent calcium efflux and functioning as a mitochondrial proton/potassium exchanger, essential for tubular shape and cristae organization.

Therapeutic significance:

Linked to Neurodegeneration, childhood-onset, with multisystem involvement due to mitochondrial dysfunction, understanding the role of Mitochondrial proton/calcium exchanger protein could open doors to potential therapeutic strategies. Its involvement in mitochondrial maintenance and respiratory function highlights its potential as a target in treating mitochondrial disorders.