Focused On-demand Library for Deoxyhypusine hydroxylase

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.

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 top-notch dedicated system is used to design specialised 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

Q9BU89

UPID:

DOHH_HUMAN

Alternative names:

Deoxyhypusine dioxygenase; Deoxyhypusine monooxygenase; HEAT-like repeat-containing protein 1

Alternative UPACC:

Q9BU89; O75265

Background:

Deoxyhypusine hydroxylase, also known as deoxyhypusine dioxygenase or deoxyhypusine monooxygenase, plays a pivotal role in the post-translational modification of eukaryotic translation initiation factor 5A/eIF-5A. This enzyme catalyzes the hydroxylation of N(6)-(4-aminobutyl)-L-lysine, a critical step in converting lysine into hypusine, an unusual amino acid essential for eIF-5A's function.

Therapeutic significance:

The enzyme's link to the neurodevelopmental disorder with microcephaly, cerebral atrophy, and visual impairment highlights its potential as a therapeutic target. Understanding the role of Deoxyhypusine hydroxylase could open doors to potential therapeutic strategies for treating this disorder.