Focused On-demand Library for Solute carrier family 53 member 1

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 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

Q9UBH6

UPID:

S53A1_HUMAN

Alternative names:

Phosphate exporter SLC53A1; Protein SYG1 homolog; Xenotropic and polytropic murine leukemia virus receptor X3; Xenotropic and polytropic retrovirus receptor 1

Alternative UPACC:

Q9UBH6; O95719; Q7L8K9; Q8IW20; Q9NT19; Q9UFB9

Background:

Solute carrier family 53 member 1 (SLC53A1) functions as an inorganic ion transporter, crucial for phosphate homeostasis. It prevents intracellular phosphate accumulation, preserving calcium signaling. SLC53A1 binds inositol hexakisphosphate and similar molecules, playing a key role in regulating phosphate flux. Its alternative names include Phosphate exporter SLC53A1 and Xenotropic and polytropic murine leukemia virus receptor X3.

Therapeutic significance:

SLC53A1's involvement in Basal ganglia calcification, idiopathic, 6, characterized by brain calcifications and a spectrum of neuropsychiatric symptoms, highlights its potential as a therapeutic target. Understanding SLC53A1's role could open doors to novel treatments for this condition.