Focused On-demand Library for Oxidoreductase NAD-binding domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Q96HP4

UPID:

OXND1_HUMAN

Alternative names:

Alternative UPACC:

Q96HP4; Q2HYC7; Q59FA4

Background:

Oxidoreductase NAD-binding domain-containing protein 1 plays a crucial role in cellular redox processes. This protein, encoded by the gene with the accession number Q96HP4, is pivotal in the regulation of oxidation-reduction reactions, facilitating the transfer of electrons between molecules. Its involvement in these fundamental biochemical pathways underscores its importance in maintaining cellular homeostasis and energy production.

Therapeutic significance:

Understanding the role of Oxidoreductase NAD-binding domain-containing protein 1 could open doors to potential therapeutic strategies. Its central role in redox biology suggests that modulation of its activity could have therapeutic implications in diseases characterized by oxidative stress or metabolic imbalances.