Focused On-demand Library for Dehydrodolichyl diphosphate synthase complex subunit DHDDS

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

Q86SQ9

UPID:

DHDDS_HUMAN

Alternative names:

Cis-isoprenyltransferase; Cis-prenyltransferase subunit hCIT; Epididymis tissue protein Li 189m

Alternative UPACC:

Q86SQ9; B7Z4B9; B7ZB20; D3DPK7; D3DPK8; D3DPK9; E9KL43; Q5T0A4; Q8NE90; Q9BTG5; Q9BTK3; Q9H905

Background:

Dehydrodolichyl diphosphate synthase complex subunit DHDDS, also known as Cis-isoprenyltransferase, plays a pivotal role in the biosynthesis of dolichol phosphate, a carrier molecule for sugar residues in protein glycosylation within the endoplasmic reticulum. This process is crucial for the proper folding and function of many proteins. DHDDS forms the DDS complex with NUS1, catalyzing the synthesis of long-chain polyprenols, vital for cellular functions.

Therapeutic significance:

DHDDS is implicated in Retinitis pigmentosa 59, a retinal dystrophy leading to vision loss, and a neurodevelopmental disorder characterized by developmental delay, seizures, and movement abnormalities. Understanding the role of DHDDS could open doors to potential therapeutic strategies for these conditions, highlighting its significance in medical research.