Focused On-demand Library for Apolipoprotein C-III

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P02656

UPID:
APOC3_HUMAN

ALTERNATIVE NAMES:
Apolipoprotein C3

ALTERNATIVE UPACC:
P02656; Q08E83; Q6Q786

BACKGROUND:
The protein Apolipoprotein C-III, also referred to as Apolipoprotein C3, is integral to the regulation of triglyceride homeostasis. It is involved in the intracellular assembly of hepatic VLDL1 and the extracellular regulation of TRLs metabolism, playing a dual role in lipid metabolism. Its unique structure enables it to interact with lipids of varying sizes, facilitating its role in lipid transport and metabolism.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Hyperalphalipoproteinemia 2, characterized by increased levels of HDL cholesterol, Apolipoprotein C-III presents a promising target for therapeutic research. The protein's pivotal role in lipid metabolism and disease association highlights its potential in developing treatments for metabolic syndromes and cardiovascular conditions.

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