Focused On-demand Library for Radical S-adenosyl methionine domain-containing protein 1, 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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q9HA92

UPID:

RSAD1_HUMAN

Alternative names:

Putative heme chaperone

Alternative UPACC:

Q9HA92; B4DMW0; Q53HV8; Q86VC4; Q9BRY7; Q9NUS7

Background:

Radical S-adenosyl methionine domain-containing protein 1, mitochondrial, also known as a putative heme chaperone, plays a crucial role in cellular processes. It is believed to assist in heme transport and storage, binding heme directly. This protein is characterized by its ability to bind a [4Fe-4S] cluster, coordinated with 3 cysteines and an exchangeable S-adenosyl-L-methionine, highlighting its intricate molecular structure and essential biological function.

Therapeutic significance:

Understanding the role of Radical S-adenosyl methionine domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes underscores its potential as a target for drug discovery, aiming to modulate its function for therapeutic benefits.