AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages 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.

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