Focused On-demand Library for Diphthamide biosynthesis protein 3

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 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 our associate 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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

Reaxense

upacc

Q96FX2

UPID:

DPH3_HUMAN

Alternative names:

CSL-type zinc finger-containing protein 2; DelGEF-interacting protein 1

Alternative UPACC:

Q96FX2

Background:

Diphthamide biosynthesis protein 3, also known as CSL-type zinc finger-containing protein 2 or DelGEF-interacting protein 1, plays a crucial role in the post-translational modification of histidine in elongation factor 2. This modification is essential for the first step of diphthamide biosynthesis. The protein is involved in transferring a 3-amino-3-carboxypropyl group to a histidine residue, a process that requires a reduction system including DPH3 and a NADH-dependent reductase. It also contributes to the restoration of iron to DPH1-DPH2 iron-sulfur clusters, crucial for maintaining the clusters in their active and reduced state.

Therapeutic significance:

Understanding the role of Diphthamide biosynthesis protein 3 could open doors to potential therapeutic strategies.