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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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
Q9HC21
UPID:
TPC_HUMAN
Alternative names:
Mitochondrial thiamine pyrophosphate transporter; Mitochondrial uncoupling protein 1; Solute carrier family 25 member 19
Alternative UPACC:
Q9HC21; E9PF74; Q6V9R7
Background:
The Mitochondrial thiamine pyrophosphate carrier, also known as Mitochondrial uncoupling protein 1 and Solute carrier family 25 member 19, plays a crucial role in cellular energy metabolism. It facilitates the uptake of thiamine diphosphate into mitochondria, a vital step for mitochondrial function and energy production. The protein's activity is essential for maintaining the mitochondrial membrane potential and supporting the proton electrochemical gradient.
Therapeutic significance:
Linked to severe congenital disorders like Microcephaly, Amish type, and Thiamine metabolism dysfunction syndrome 4, this protein's dysfunction underscores its critical role in neurological development and function. Understanding the Mitochondrial thiamine pyrophosphate carrier's role could open doors to potential therapeutic strategies for these debilitating conditions.