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 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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.

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

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.