Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our partner 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.
We use our state-of-the-art dedicated workflow for designing focused 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:
partner
Reaxense
upacc
P0DJ07
UPID:
PT100_HUMAN
Alternative names:
-
Alternative UPACC:
P0DJ07
Background:
The Protein PET100 homolog, mitochondrial, is pivotal in mitochondrial complex IV maturation and assembly. This protein ensures the proper functioning and efficiency of the mitochondrial respiratory chain, which is crucial for cellular energy production.
Therapeutic significance:
Mitochondrial complex IV deficiency, nuclear type 12, a severe disorder marked by metabolic acidosis, delayed development, and early mortality, is linked to this protein. Understanding the role of Protein PET100 homolog could open doors to potential therapeutic strategies.