Focused On-demand Libraries - Receptor.AI 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.


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 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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q8IU89

UPID:
CERS3_HUMAN

ALTERNATIVE NAMES:
Dihydroceramide synthase 3; LAG1 longevity assurance homolog 3; Sphingosine N-acyltransferase CERS3; Ultra-long-chain ceramide synthase CERS3; Very-long-chain ceramide synthase CERS3

ALTERNATIVE UPACC:
Q8IU89; Q8NE64; Q8NEN6

BACKGROUND:
Ceramide Synthase 3, known for its selectivity in catalyzing the transfer of acyl chains to sphingoid bases, is crucial in synthesizing ultra-long-chain ceramides in the epidermis. This enzyme's activity ensures the integrity of the skin's lipid barrier and supports terminal differentiation, vital for skin health and protection.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Ichthyosis, congenital, autosomal recessive 9, Ceramide Synthase 3 represents a significant target in dermatological research. Exploring the therapeutic potential of modulating CERS3 activity offers a promising avenue for developing treatments aimed at correcting the underlying lipid metabolism disorders in affected individuals.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.