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

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's 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.