Focused On-demand Library for Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


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. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P13995

UPID:
MTDC_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P13995; Q53G90; Q53GV5; Q53S36; Q7Z650

BACKGROUND:
P13995, known as Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, is integral to the mitochondrial metabolic processes. Despite its primary affinity for NAD, its ability to also process NADP, though less efficiently, signifies its biochemical flexibility and importance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial is crucial for unveiling novel therapeutic avenues. Its central role in metabolism makes it a compelling candidate for drug discovery and disease treatment strategies.

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