Focused On-demand Library for Sodium-dependent dopamine transporter

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

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

Q01959

UPID:

SC6A3_HUMAN

Alternative names:

Solute carrier family 6 member 3

Alternative UPACC:

Q01959; A2RUN4; Q14996

Background:

The Sodium-dependent dopamine transporter, also known as Solute carrier family 6 member 3, plays a crucial role in the neurotransmitter regulation by mediating the sodium- and chloride-dependent transport of dopamine and norepinephrine. Its involvement extends to the regulation of light-dependent retinal hyaloid vessel regression, showcasing its multifaceted role in neurologic and visual functions.

Therapeutic significance:

Linked to Parkinsonism-dystonia 1, infantile-onset, a neurodegenerative disorder characterized by parkinsonism and dystonia, the Sodium-dependent dopamine transporter's dysfunction highlights its potential as a therapeutic target. Understanding its role could open doors to innovative treatments for this and possibly other neurodegenerative diseases.