Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
A0PJE2

UPID:
DHR12_HUMAN

ALTERNATIVE NAMES:
Short-chain dehydrogenase/reductase family 40C member 1

ALTERNATIVE UPACC:
A0PJE2; Q96GB2; Q9H8H1

BACKGROUND:
The protein Dehydrogenase/reductase SDR family member 12, alternatively named Short-chain dehydrogenase/reductase family 40C member 1, functions as a putative oxidoreductase. It is pivotal in the oxidation-reduction processes that facilitate the conversion of molecules in the body, playing a key role in maintaining cellular health and function.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dehydrogenase/reductase SDR family member 12 offers a promising avenue for the development of novel therapeutic interventions. By elucidating its role in cellular processes, researchers can identify new pathways for drug development, potentially leading to innovative treatments for various conditions.

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