AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein APCDD1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

Q8J025

UPID:

APCD1_HUMAN

Alternative names:

Adenomatosis polyposis coli down-regulated 1 protein

Alternative UPACC:

Q8J025; B4DUQ0; B4DZT0; Q71M25

Background:

Protein APCDD1, also known as Adenomatosis polyposis coli down-regulated 1 protein, plays a pivotal role in the negative regulation of the Wnt signaling pathway. This protein acts upstream of beta-catenin and may inhibit Wnt signaling through its interactions with Wnt and LRP proteins. Its involvement in colorectal tumorigenesis highlights its significance in cellular processes.

Therapeutic significance:

APCDD1's link to Hypotrichosis 1, a rare hereditary condition characterized by progressive hair loss, underscores its therapeutic potential. Understanding the role of Protein APCDD1 could open doors to potential therapeutic strategies for treating hair loss disorders and possibly colorectal cancer.

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