A strategy to find novel candidate anti-Alzheimer's disease drugs by constructing interaction networks between drug targets and natural compounds in medical plants

PeerJ
Bi-Wen ChenJing-Fei Huang

Abstract

Alzheimer' disease (AD) is an ultimately fatal degenerative brain disorder that has an increasingly large burden on health and social care systems. There are only five drugs for AD on the market, and no new effective medicines have been discovered for many years. Chinese medicinal plants have been used to treat diseases for thousands of years, and screening herbal remedies is a way to develop new drugs. We used molecular docking to screen 30,438 compounds from Traditional Chinese Medicine (TCM) against a comprehensive list of AD target proteins. TCM compounds in the top 0.5% of binding affinity scores for each target protein were selected as our research objects. Structural similarities between existing drugs from DrugBank database and selected TCM compounds as well as the druggability of our candidate compounds were studied. Finally, we searched the CNKI database to obtain studies on anti-AD Chinese plants from 2007 to 2017, and only clinical studies were included. A total of 1,476 compounds (top 0.5%) were selected as drug candidates. Most of these compounds are abundantly found in plants used for treating AD in China, especially the plants from two genera Panax and Morus. We classified the compounds by single target and mult...Continue Reading

References

Dec 31, 2005·Nucleic Acids Research·David S WishartJennifer Woolsey
Nov 4, 2006·Science·Michel Goedert, Maria Grazia Spillantini
Mar 11, 2008·Chemistry Central Journal·Noel M O'BoyleGeoffrey R Hutchison
Aug 5, 2008·Trends in Neurosciences·Ilya Bezprozvanny, Mark P Mattson
Oct 8, 2008·Trends in Pharmacological Sciences·Domenico Praticò
Apr 29, 2009·Journal of Computational Chemistry·Garrett M MorrisArthur J Olson
Oct 7, 2009·The Journal of Cell Biology·Mohamed LamkanfiVishva M Dixit
Jan 11, 2011·Journal of Neurochemistry·James C-M LeeGrace Y Sun
Feb 8, 2011·Metallomics : Integrated Biometal Science·David J BondaMark A Smith
Mar 12, 2011·Neuroscience and Biobehavioral Reviews·Laura A CraigRobert J McDonald
Jan 1, 2010·Journal of Alzheimer's Disease : JAD·Catherine H Trepanier, Norton W Milgram
Aug 4, 2011·Journal of Alzheimer's Disease : JAD·Junichi TakasakiMasahito Yamada
Oct 11, 2011·Journal of Cheminformatics·Noel M O'BoyleGeoffrey R Hutchison
Nov 3, 2011·Journal of Alzheimer's Disease : JAD·Takehiro KikoTeruo Miyazawa
Dec 8, 2011·Nature Medicine·Katharine Sanderson
Jan 10, 2012·Geriatrics & Gerontology International·Kenjiro Ono, Masahito Yamada
Feb 9, 2012·Cold Spring Harbor Perspectives in Medicine·Tony Wyss-Coray, Joseph Rogers
Feb 15, 2012·European Journal of Pharmacology·Mital BhadaniaVenkatrao H Kulkarni
May 11, 2012·Future Medicinal Chemistry·Richard J Deane
Jun 1, 2012·Molecular Neurobiology·M T GentileL Colucci-D'Amato
Nov 23, 2012·Expert Opinion on Drug Discovery·Nikolaus J Sucher
Jan 2, 2013·Therapeutic Advances in Neurological Disorders·Konstantina G Yiannopoulou, Sokratis G Papageorgiou
Oct 12, 2013·Folia Neuropathologica·R A Armstrong
Nov 20, 2013·Dementia and Geriatric Cognitive Disorders·Jin-young Min, Kyoung-bok Min
Jan 2, 2014·JAMA : the Journal of the American Medical Association·Maurice W DyskenPeter D Guarino
Mar 22, 2014·Neuropsychiatric Disease and Treatment·Ling-Yun Fan, Ming-Jang Chiu
Jul 16, 2014·Alzheimer's Research & Therapy·Jeffrey L CummingsKate Zhong
Oct 28, 2014·CNS & Neurological Disorders Drug Targets·Gohar MushtaqMohammad A Kamal
Jul 16, 2015·Cellular and Molecular Neurobiology·Zhiyou CaiBin Zhao
Sep 1, 2015·International Review of Neurobiology·Fuhai SongHongxing Lei
Oct 31, 2016·Genomics, Proteomics & Bioinformatics·Xing PengHongxing Lei

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Citations

May 30, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Andreia S P PereiraZeno Apostolides
Nov 11, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Andreia S P PereiraZeno Apostolides

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Software Mentioned

Open Babel toolbox
AutoDockVina
AutoDock
Python package
Pybel
Vina
PyMOL ( PyMOL Molecular Graphics System
Pipeline Pilot
AutoDock Vina
Cytoscape

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