Focused On-demand Library for CDGSH iron-sulfur domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NZ45

UPID:

CISD1_HUMAN

Alternative names:

Cysteine transaminase CISD1; MitoNEET

Alternative UPACC:

Q9NZ45; Q1X902

Background:

CDGSH iron-sulfur domain-containing protein 1, also known as Cysteine transaminase CISD1 or MitoNEET, plays a pivotal role in cellular metabolism. It catalyzes the reversible transfer of the amino group from L-cysteine to alpha-keto acid 2-oxoglutarate, facilitating crucial steps in amino acid metabolism and iron-sulfur cluster shuttling. This process is essential for maintaining the balance of oxidative phosphorylation and electron transport capacity in cells.

Therapeutic significance:

Understanding the role of CDGSH iron-sulfur domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes highlights its potential as a target for interventions in metabolic disorders and diseases related to mitochondrial dysfunction.