Focused On-demand Library for ATP synthase membrane subunit K, mitochondrial

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

Q96IX5

UPID:

ATPMK_HUMAN

Alternative names:

ATP synthase membrane subunit DAPIT, mitochondrial; Diabetes-associated protein in insulin-sensitive tissues; HCV F-transactivated protein 2; Up-regulated during skeletal muscle growth protein 5

Alternative UPACC:

Q96IX5; B2R4N2; D3DR92

Background:

ATP synthase membrane subunit K, mitochondrial, also known as ATP5MK, plays a crucial role in cellular energy production. It is a component of the mitochondrial membrane ATP synthase (Complex V), which synthesizes ATP from ADP, utilizing a proton gradient created by the respiratory chain. ATP5MK is essential for the dimerization of the ATP synthase complex, thereby regulating ATP synthesis in mitochondria.

Therapeutic significance:

Mitochondrial complex V deficiency, nuclear type 6, a disorder linked to ATP5MK, highlights the protein's critical role in metabolic health. Understanding ATP5MK's function could pave the way for novel therapeutic approaches in treating mitochondrial disorders.