Focused On-demand Library for Sphingosine-1-phosphate transporter SPNS2

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8IVW8

UPID:

SPNS2_HUMAN

Alternative names:

Protein spinster homolog 2

Alternative UPACC:

Q8IVW8; B9A1T3

Background:

Sphingosine-1-phosphate transporter SPNS2, also known as Protein spinster homolog 2, plays a pivotal role in lipid transport, specifically mediating the export of sphingosine-1-phosphate (S1P) and sphinganine-1-phosphate. This process is crucial for lymphocyte trafficking, immune system development, and maintaining the S1P gradient essential for lymphocyte egress during immune responses. Additionally, SPNS2 is involved in auditory function, facilitating S1P release in the inner ear to maintain cochlear endocochlear potential.

Therapeutic significance:

Given its involvement in severe sensorineural hearing impairment and its critical role in immune system functioning, targeting SPNS2 could offer novel therapeutic strategies for treating autosomal recessive deafness 115 and potentially modulating immune responses.