Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9HD34
UPID:
LYRM4_HUMAN
Alternative names:
-
Alternative UPACC:
Q9HD34; A8K543; Q5XKP1
Background:
LYR motif-containing protein 4 plays a pivotal role in mitochondrial function, specifically in the assembly of iron-sulfur clusters. These clusters are crucial for various cellular processes, including electron transport and enzyme function. The protein stabilizes the core assembly complex, ensuring efficient synthesis of [2Fe-2S] clusters, a foundational step in mitochondrial iron-sulfur protein biogenesis.
Therapeutic significance:
The protein's association with Combined oxidative phosphorylation deficiency 19, a severe mitochondrial disorder, underscores its therapeutic potential. Targeting LYR motif-containing protein 4 could lead to innovative treatments for this and related mitochondrial diseases, offering hope for patients suffering from these challenging conditions.