Focused On-demand Library for Stress-70 protein, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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

P38646

UPID:

GRP75_HUMAN

Alternative names:

75 kDa glucose-regulated protein; Heat shock 70 kDa protein 9; Mortalin; Peptide-binding protein 74

Alternative UPACC:

P38646; B2RCM1; P30036; P31932; Q1HB43; Q53H23; Q6GU03; Q9BWB7; Q9UC56

Background:

The Stress-70 protein, mitochondrial, known alternatively as 75 kDa glucose-regulated protein, Heat shock 70 kDa protein 9, Mortalin, and Peptide-binding protein 74, plays a pivotal role in mitochondrial iron-sulfur cluster (ISC) biogenesis. It interacts with and stabilizes ISC assembly proteins such as FXN, NFU1, NFS1, and ISCU, crucial for erythropoiesis and potentially influencing cell proliferation and aging.

Therapeutic significance:

Linked to diseases like Anemia, sideroblastic, 4, and Even-plus syndrome, the protein's involvement in mitochondrial function and erythropoiesis underscores its therapeutic potential. Understanding the role of Stress-70 protein, mitochondrial could open doors to potential therapeutic strategies for these conditions.