AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sulfotransferase 4A1

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

Q9BR01

UPID:

ST4A1_HUMAN

Alternative names:

Brain sulfotransferase-like protein; Nervous system sulfotransferase

Alternative UPACC:

Q9BR01; B2R7N3; O43728

Background:

Sulfotransferase 4A1, also known as Brain sulfotransferase-like protein and Nervous system sulfotransferase, is an atypical member of the sulfotransferase family. It exhibits very low affinity for 3'-phospho-5'-adenylyl sulfate (PAPS) and demonstrates minimal catalytic activity towards substrates like L-triiodothyronine, thyroxine, estrone, and various phenols. This unique profile suggests a specialized role in the metabolism of drugs and neurotransmitters within the central nervous system.

Therapeutic significance:

Understanding the role of Sulfotransferase 4A1 could open doors to potential therapeutic strategies. Its involvement in the metabolism of critical neurotransmitters and drugs highlights its potential as a target for modulating neurological functions and treating CNS disorders.

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