Focused On-demand Library for LYR motif-containing protein 4

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 screening 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
Receptor.AI
 
UPACC
Q9HD34

UPID:
LYRM4_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q9HD34; A8K543; Q5XKP1

BACKGROUND:
The LYR motif-containing protein 4 is integral to the de novo synthesis of iron-sulfur clusters in mitochondria, facilitating the first step of mitochondrial iron-sulfur protein biogenesis. It acts as a stabilizing factor within the core iron-sulfur cluster assembly complex, playing a key role in the regulation of cysteine desulfurase activity and the assembly of [2Fe-2S] clusters on the scaffolding protein ISCU.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of LYR motif-containing protein 4 could open doors to potential therapeutic strategies. Its critical function in mitochondrial health and its link to Combined oxidative phosphorylation deficiency 19 highlight its importance as a target for drug discovery efforts aimed at treating mitochondrial disorders.

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