Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5VT66
UPID:
MARC1_HUMAN
Alternative names:
Molybdenum cofactor sulfurase C-terminal domain-containing protein 1
Alternative UPACC:
Q5VT66; A8K447; B2D078; Q5VVS9; Q5VVT0; Q5VVT1; Q8N9P5; Q96FN8; Q9H6C7
Background:
Mitochondrial amidoxime-reducing component 1, also known as Molybdenum cofactor sulfurase C-terminal domain-containing protein 1, plays a crucial role in metabolic processes. It catalyzes the reduction of N-oxygenated molecules, acting as a counterpart to cytochrome P450 and flavin-containing monooxygenases. This protein is pivotal in the prodrug-converting system, enhancing drug bioavailability by reducing N-hydroxylated prodrugs, especially amidoximes.
Therapeutic significance:
Understanding the role of Mitochondrial amidoxime-reducing component 1 could open doors to potential therapeutic strategies.