Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 4L

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Reaxense

upacc

P03901

UPID:

NU4LM_HUMAN

Alternative names:

NADH dehydrogenase subunit 4L

Alternative UPACC:

P03901

Background:

NADH-ubiquinone oxidoreductase chain 4L, also known as NADH dehydrogenase subunit 4L, is a core component of the mitochondrial membrane respiratory chain Complex I. This protein plays a crucial role in cellular energy production by catalyzing electron transfer from NADH to ubiquinone, facilitating ATP synthesis.

Therapeutic significance:

Leber hereditary optic neuropathy (LHON) is directly linked to mutations affecting NADH-ubiquinone oxidoreductase chain 4L. LHON leads to bilateral vision loss, with potential cardiac and neurological defects. Understanding the role of this protein could pave the way for targeted therapies to mitigate or reverse the effects of LHON.