Focused On-demand Library for Sodium-dependent multivitamin 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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

Q9Y289

UPID:

SC5A6_HUMAN

Alternative names:

Solute carrier family 5 member 6

Alternative UPACC:

Q9Y289; B2RB85; D6W549; Q969Y5

Background:

The Sodium-dependent multivitamin transporter, also known as Solute carrier family 5 member 6, plays a crucial role in the electrogenic transport of essential nutrients such as pantothenate, biotin, and lipoate across cell membranes. It operates as a Na+-coupled substrate symporter, utilizing an electrochemical Na+ gradient to facilitate substrate uptake. This protein is vital for biotin and pantothenate absorption in the intestine and contributes to the maintenance of intestinal mucosa integrity and the transport of these vitamins into the brain across the blood-brain barrier.

Therapeutic significance:

Linked to Sodium-dependent multivitamin transporter deficiency and Peripheral motor neuropathy, childhood-onset, biotin-responsive, this transporter's dysfunction highlights its therapeutic significance. Treatments with biotin, pantothenic acid, and lipoic acid show clinical improvement, underscoring the potential of targeting this transporter in therapeutic strategies.