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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P39210
UPID:
MPV17_HUMAN
Alternative names:
-
Alternative UPACC:
P39210; D6W555; Q53SY2; Q96B08
Background:
Protein Mpv17 plays a crucial role in mitochondrial homeostasis, acting as a non-selective channel that modulates membrane potential under both normal and oxidative stress conditions. It is pivotal in maintaining mitochondrial deoxynucleoside triphosphates pool and mitochondrial DNA, thereby influencing mitochondrial function and integrity.
Therapeutic significance:
The involvement of Protein Mpv17 in mitochondrial DNA depletion syndrome 6 and Charcot-Marie-Tooth disease, axonal, 2EE, underscores its therapeutic potential. Targeting Mpv17 could lead to innovative treatments for these mitochondrial dysfunction-related diseases, offering hope for affected patients.