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

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

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.