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Multiple-molecule drug design based on systems biology approaches and deep neural network to mitigate human skin aging
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Multiple-molecule drug design based on systems biology approaches and deep neural network to mitigate human skin aging

Shan-Ju Yeh, Jin-Fu LinBor-Sen Chen
Molecules, 卷.26(11), 3178
06/2021
PMID: 34073305

摘要

Aging progression mechanism Genome-wide genetic and epigenetic network (GWGEN) Multiple-molecule drug Oxidative stress Skin aging Systems medicine design Analytical Chemistry Chemistry (miscellaneous) Molecular Medicine Pharmaceutical Science Drug Discovery Physical and Theoretical Chemistry Organic Chemistry
Human skin aging is affected by various biological signaling pathways, microenviron-ment factors and epigenetic regulations. With the increasing demand for cosmetics and pharmaceu-ticals to prevent or reverse skin aging year by year, designing multiple-molecule drugs for mitigating skin aging is indispensable. In this study, we developed strategies for systems medicine design based on systems biology methods and deep neural networks. We constructed the candidate ge-nomewide genetic and epigenetic network (GWGEN) via big database mining. After doing systems modeling and applying system identification, system order detection and principle network projec-tion methods with real time-profile microarray data, we could obtain core signaling pathways and identify essential biomarkers based on the skin aging molecular progression mechanisms. After-wards, we trained a deep neural network of drug–target interaction in advance and applied it to predict the potential candidate drugs based on our identified biomarkers. To narrow down the candidate drugs, we designed two filters considering drug regulation ability and drug sensitivity. With the proposed systems medicine design procedure, we not only shed the light on the skin aging molecular progression mechanisms but also suggested two multiple-molecule drugs for mitigating human skin aging from young adulthood to middle age and middle age to old age, respectively.

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https://doi.org/10.3390/molecules26113178檢視
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