Focused On-demand Library for Adenosine 3'-phospho 5'-phosphosulfate transporter 1

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused 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

Q8TB61

UPID:

S35B2_HUMAN

Alternative names:

PAPS transporter 1; Putative MAPK-activating protein PM15; Putative NF-kappa-B-activating protein 48; Solute carrier family 35 member B2

Alternative UPACC:

Q8TB61; B4DDM2; B4DDU9; F5H7Y9; Q2VY06; Q53GA3; Q5T9W1; Q5T9W2; Q7Z2G3; Q8NBK6; Q96AR6

Background:

Adenosine 3'-phospho 5'-phosphosulfate transporter 1, also known as PAPS transporter 1, plays a crucial role in cellular processes by functioning as a 3'-phosphoadenylyl sulfate:adenosine 3',5'-bisphosphate antiporter at the Golgi membranes. This protein facilitates the transport of 3'-phosphoadenylyl sulfate/adenosine 3'-phospho 5'-phosphosulfate (PAPS) into the Golgi lumen, a key step in sulfation events.

Therapeutic significance:

Given its involvement in hypomyelinating leukodystrophy 26, with chondrodysplasia, understanding the role of Adenosine 3'-phospho 5'-phosphosulfate transporter 1 could open doors to potential therapeutic strategies for treating this severe neurological disorder.