Focused On-demand Library for Sodium-dependent neutral amino acid transporter SLC6A17

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop 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 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

Q9H1V8

UPID:

S6A17_HUMAN

Alternative names:

Sodium-dependent neurotransmitter transporter NTT4; Solute carrier family 6 member 17

Alternative UPACC:

Q9H1V8; A6NEA8; A8K1R7; B9EIR5; Q5T5Q9

Background:

The Sodium-dependent neutral amino acid transporter SLC6A17, also known as Sodium-dependent neurotransmitter transporter NTT4 and Solute carrier family 6 member 17, is pivotal in the transport of specific amino acids including proline, glycine, leucine, and alanine. Unlike its family counterparts, it operates independently of chloride ions, highlighting a unique mechanism of action.

Therapeutic significance:

SLC6A17's association with Intellectual developmental disorder, autosomal recessive 48, characterized by intellectual disability, progressive tremor, and speech impairment, underscores its potential as a therapeutic target. Understanding the role of SLC6A17 could open doors to potential therapeutic strategies.