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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y5U8
UPID:
MPC1_HUMAN
Alternative names:
Brain protein 44-like protein
Alternative UPACC:
Q9Y5U8; B2R5I7; Q5TI66; Q9HB67; Q9UQN4
Background:
Mitochondrial pyruvate carrier 1, also known as Brain protein 44-like protein, plays a crucial role in cellular energy metabolism by mediating the uptake of pyruvate into mitochondria. This process is vital for the conversion of pyruvate into acetyl-CoA, a key substrate for the Krebs cycle, which generates ATP through oxidative phosphorylation.
Therapeutic significance:
The protein is linked to Mitochondrial pyruvate carrier deficiency, a severe metabolic disorder with symptoms including delayed psychomotor development, metabolic acidosis, and encephalopathy. Understanding the role of Mitochondrial pyruvate carrier 1 could open doors to potential therapeutic strategies for this condition.