AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Single-stranded DNA cytosine deaminase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

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

Reaxense

upacc

Q9GZX7

UPID:

AICDA_HUMAN

Alternative names:

Activation-induced cytidine deaminase; Cytidine aminohydrolase

Alternative UPACC:

Q9GZX7; Q6QJ81; Q8NFC1

Background:

Single-stranded DNA cytosine deaminase, also known as Activation-induced cytidine deaminase or Cytidine aminohydrolase, plays a pivotal role in the immune system. It is crucial for somatic hypermutation, gene conversion, and class-switch recombination in B-lymphocytes, processes essential for antibody responses. This protein is also implicated in DNA demethylation, suggesting a broader role in gene expression regulation.

Therapeutic significance:

Immunodeficiency with hyper-IgM 2, a rare syndrome characterized by susceptibility to bacterial infections, is linked to mutations affecting this protein. Understanding its function could lead to novel treatments for this immunodeficiency and potentially other related disorders.

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