Literature DB >> 34082666

Machine Learning, Molecular Modeling, and QSAR Studies on Natural Products Against Alzheimer's Disease.

Érika Paiva de Moura1, Natan Dias Fernandes1, Alex France Messias Monteiro1, Herbert Igor Rodrigues de Medeiros1, Marcus Tullius Scotti1, Luciana Scotti1.   

Abstract

BACKGROUND: Alzheimer's disease (AD) is a very common neurodegenerative disorder in individuals over 65 years of age; however, younger individuals can also be affected due to brain damage.
INTRODUCTION: The general symptoms of this disease include progressive loss of memory, changes in behavior, deterioration of thinking, and gradual loss of ability to perform daily activities. According to the World Health Organization, dementia has affected more than 50 million people worldwide, and it is estimated that there are 10 million new cases per year, of which 70% are due to AD.
METHODS: This paper reported a review of scientific articles available on the internet which discuss in silico analyzes such as molecular docking, molecular dynamics, and quantitative structure-activity relationship (QSAR) of different classes of natural products and their derivatives published from 2016 onwards. In addition, this work reports the potential of fermented papaya preparation against oxidative stress in AD.
RESULTS: This research reviews the most recent studies on AD, computational analysis methods used in proposing new bioactive compounds and their possible molecular targets, and finally, the molecules or classes of natural products involved in each study.
CONCLUSION: Thus, studies like this can orientate new research works on neurodegenerative diseases, especially AD. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.

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Keywords:  Alzheimer's disease; QSAR; in silico; molecular docking; molecular dynamics; molecular learning.

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Year:  2021        PMID: 34082666     DOI: 10.2174/0929867328666210603104749

Source DB:  PubMed          Journal:  Curr Med Chem        ISSN: 0929-8673            Impact factor:   4.530


  1 in total

1.  Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models.

Authors:  Mengzhou Bi; Zhen Guan; Tengjiao Fan; Na Zhang; Jianhua Wang; Guohui Sun; Lijiao Zhao; Rugang Zhong
Journal:  Molecules       Date:  2022-03-08       Impact factor: 4.411

  1 in total

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