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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P03891

UPID:
NU2M_HUMAN

ALTERNATIVE NAMES:
NADH dehydrogenase subunit 2

ALTERNATIVE UPACC:
P03891; Q34769; Q9TGI0; Q9TGI1; Q9TGI2; Q9TGI3; Q9TGI4

BACKGROUND:
The NADH-ubiquinone oxidoreductase chain 2, alternatively named NADH dehydrogenase subunit 2, is integral to the mitochondrial respiratory chain's Complex I. Its primary function involves the transfer of electrons from NADH through the respiratory chain, utilizing ubiquinone as an electron acceptor. This process is pivotal for the generation of ATP, highlighting the protein's essential role in cellular respiration and energy production.

THERAPEUTIC SIGNIFICANCE:
Linked to critical mitochondrial disorders such as Leber hereditary optic neuropathy, Alzheimer disease mitochondrial, and Leigh syndrome, NADH-ubiquinone oxidoreductase chain 2's dysfunction underscores its potential as a therapeutic target. Advancements in understanding its role could pave the way for innovative treatments, offering new avenues to combat these complex diseases and improve patient outcomes.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.