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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y584
UPID:
TIM22_HUMAN
Alternative names:
Testis-expressed protein 4
Alternative UPACC:
Q9Y584; Q9NWI8
Background:
Mitochondrial import inner membrane translocase subunit Tim22, also known as Testis-expressed protein 4, plays a pivotal role in the mitochondrial inner membrane. It is a core component of the TIM22 complex, facilitating the import and insertion of multi-pass transmembrane proteins into the mitochondrial inner membrane. This process is crucial for mitochondrial function, leveraging the membrane potential in two voltage-dependent steps.
Therapeutic significance:
The protein is linked to Combined oxidative phosphorylation deficiency 43, a mitochondrial disorder with symptoms like hypotonia, myopathy, and elevated serum lactate. Understanding the role of Mitochondrial import inner membrane translocase subunit Tim22 could open doors to potential therapeutic strategies for this and related mitochondrial diseases.