AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium- and chloride-dependent glycine transporter 1

Available from Reaxense
Predicted by Alphafold

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.

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 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 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

P48067

UPID:

SC6A9_HUMAN

Alternative names:

Solute carrier family 6 member 9

Alternative UPACC:

P48067; A6NDH1; A6NII2; A6NNZ8; Q5TAB8; Q5TAB9; Q5TAC0

Background:

Sodium- and chloride-dependent glycine transporter 1, also known as Solute carrier family 6 member 9, plays a crucial role in regulating glycine concentrations at inhibitory glycinergic synapses. This protein's function is essential for maintaining the balance of neural transmission in the central nervous system, highlighting its significance in neurobiology.

Therapeutic significance:

Glycine encephalopathy with normal serum glycine, a severe metabolic disorder, is directly linked to mutations affecting this transporter. Understanding the role of Sodium- and chloride-dependent glycine transporter 1 could open doors to potential therapeutic strategies for treating this debilitating condition.

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