Focused On-demand Library for All trans-polyprenyl-diphosphate synthase PDSS1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

Q5T2R2

UPID:

DPS1_HUMAN

Alternative names:

All-trans-decaprenyl-diphosphate synthase subunit 1; Decaprenyl pyrophosphate synthase subunit 1; Decaprenyl-diphosphate synthase subunit 1; Solanesyl-diphosphate synthase subunit 1; Trans-prenyltransferase 1

Alternative UPACC:

Q5T2R2; Q53F75; Q6P473; Q86WQ8; Q9Y2W5

Background:

All trans-polyprenyl-diphosphate synthase PDSS1, also known as Decaprenyl pyrophosphate synthase subunit 1, plays a crucial role in the biosynthesis of ubiquinone (coenzyme Q10). This enzyme catalyzes the condensation of farnesyl diphosphate (FPP) and isopentenyl diphosphate (IPP) to produce prenyl diphosphates, essential for the side chain of ubiquinone-9 and ubiquinone-10.

Therapeutic significance:

PDSS1's involvement in Coenzyme Q10 deficiency, a disorder characterized by deafness, optic atrophy, and cardiac issues, highlights its potential as a therapeutic target. Understanding PDSS1's role could lead to novel treatments for this multisystem disorder.