Focused On-demand Library for Iron-sulfur cluster assembly enzyme ISCU

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 top-notch dedicated system is used to design specialised 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H1K1

UPID:

ISCU_HUMAN

Alternative names:

NifU-like N-terminal domain-containing protein; NifU-like protein

Alternative UPACC:

Q9H1K1; Q6P713; Q99617; Q9H1K2

Background:

The Iron-sulfur cluster assembly enzyme ISCU plays a pivotal role in mitochondrial and cytoplasmic iron-sulfur (Fe-S) cluster biogenesis. This enzyme acts as a scaffold for the assembly of [2Fe-2S] clusters, essential cofactors for numerous metabolic pathways. ISCU's involvement in the de novo synthesis of Fe-S clusters, through a complex process involving cysteine desulfurase and chaperone proteins, underscores its critical function in cellular metabolism.

Therapeutic significance:

ISCU's dysfunction is linked to Myopathy with exercise intolerance Swedish type, a metabolic disease characterized by severe exercise intolerance and lactic acidosis. Understanding the role of Iron-sulfur cluster assembly enzyme ISCU could open doors to potential therapeutic strategies for this and related mitochondrial disorders.