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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted 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
O00330
UPID:
ODPX_HUMAN
Alternative names:
Dihydrolipoamide dehydrogenase-binding protein of pyruvate dehydrogenase complex; E3-binding protein; Lipoyl-containing pyruvate dehydrogenase complex component X; proX
Alternative UPACC:
O00330; B4DW62; D3DR11; E9PB14; E9PBP7; O60221; Q96FV8; Q99783
Background:
The Pyruvate dehydrogenase protein X component, mitochondrial, known as E3-binding protein, plays a crucial role in cellular energy metabolism. It anchors dihydrolipoamide dehydrogenase to the pyruvate dehydrogenase complex, vital for converting pyruvate into acetyl-CoA, a key energy molecule.
Therapeutic significance:
Deficiency in this protein leads to Pyruvate dehydrogenase E3-binding protein deficiency, marked by psychomotor retardation and hypotonia. Understanding its role could unveil new therapeutic strategies for metabolic disorders.