AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Putative aldo-keto reductase family 1 member C8

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q5T2L2

UPID:

AKCL1_HUMAN

Alternative names:

Aldo-keto reductase family 1 member C-like protein 1

Alternative UPACC:

Q5T2L2; A6NF66; Q6ZN81

Background:

The Putative aldo-keto reductase family 1 member C8, also known as Aldo-keto reductase family 1 member C-like protein 1, plays a crucial role in the detoxification of aldehydes and ketones through their reduction. This enzyme is part of the aldo-keto reductase superfamily, which is involved in various cellular processes including the metabolism of toxicants and drugs.

Therapeutic significance:

Understanding the role of Putative aldo-keto reductase family 1 member C8 could open doors to potential therapeutic strategies. Its involvement in detoxification processes makes it a promising target for the development of treatments aimed at enhancing the body's ability to neutralize harmful substances.

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