Books and Book Chapters

    Systems pharmacology investigation of mechanism of action of nutraceuticals

    Messinis, D. E.; Latino, D. A. R. S.; Pospisil, P.; Poussin, C.; Peitsch, M. C.; Hoeng, J.

    Date published
    Jan 29, 2021
    DOI
    10.1016/B978-0-12-821038-3.00024-0
    ISBN
    9780128212462
    Published in
    Nutraceuticals: Efficacy, Safety and Toxicity, Second Edition
    Editors
    Gupta, R. C.; Lall, R.; Srivastava, A.
    Link to publication
    Topic
    Summary

    Nutraceuticals’ properties render them a good source of potential drug leads in pharmaceutical research, but the elucidation of their mechanism of action (MoA) is challenging, partly because natural compounds can bind multiple targets with unrelated structures. In this work, we present a pipeline that integrates complementary systems biology and chemoinformatics-based approaches with the goal of identifying potential targets and generating MoA hypotheses that can be tested in a new cycle of experiments. We focus on how we can integrate knowledge from multiple sources into an ensemble score and translate our results into biological insights, providing use cases on three extensively studied nutraceuticals, epigallocatechin-3-gallate, quercetin, and resveratrol as well as on a prototypical proinflammatory stimulus, TNF-α. Fifty-seven of our top 60 predicted targets were already identified in the literature as experimentally perturbed by the corresponding compounds, interestingly observing anticancer, antiviral, and antibacterial MoA to be shared among the tested nutraceuticals.

    PMIScience.com is operated by Philip Morris International for the purpose of publishing and disseminating scientific information about Philip Morris International’s efforts in support of its smoke-free product portfolio. This site is a global site for use by scientists, the public health and regulatory communities, and other stakeholders with an interest in tobacco policy. The purpose of this site is not advertising or marketing, nor is it directed at any specific market. It is not intended for use by consumers. New tobacco products sold in the United States are subject to FDA regulation; therefore the content of this site is not intended to make, and nor should it be construed as making, any product related claims in the United States without proper FDA authorization. ​
    ​
    Reduced Risk Products ("RRPs”) is the term we use to refer to products that present, are likely to present, or have the potential to present less risk of harm to smokers who switch to these products versus continuing smoking. PMI has a range of RRPs in various stages of development, scientific assessment and commercialization. All of our RRPs are smoke-free products that deliver nicotine with far lower quantities of harmful and potentially harmful constituents than found in cigarette smoke.