Focused On-demand Library for Voltage-gated purine nucleotide uniporter SLC17A9

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 leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q9BYT1

UPID:

S17A9_HUMAN

Alternative names:

Solute carrier family 17 member 9; Vesicular nucleotide transporter

Alternative UPACC:

Q9BYT1; B3KTF2; Q5W198; Q8TB07; Q8TBP4; Q8TEL5; Q9BYT0; Q9BYT2

Background:

The Voltage-gated purine nucleotide uniporter SLC17A9, also known as Solute carrier family 17 member 9 and Vesicular nucleotide transporter, plays a pivotal role in cellular energy management. It facilitates the transport of ATP, ADP, and GTP across membranes, utilizing the membrane potential to drive ATP accumulation in lysosomes and secretory vesicles. This process is crucial for the regulation of ATP-dependent proteins within these organelles and indirectly influences the exocytosis of ATP, impacting various physiological functions.

Therapeutic significance:

Given its involvement in Porokeratosis 8, disseminated superficial actinic type, a disorder linked to faulty keratinization leading to potential cutaneous neoplasms, understanding the role of SLC17A9 could open doors to potential therapeutic strategies. Targeting SLC17A9's function might offer novel approaches for managing this skin disorder and its associated neoplastic risks.