Machine Learning, Molecular Modeling and Qsar Studies of Natural Products against Alzheimer's Disease

被引:12
作者
de Moura, Erika Paiva [1 ]
Fernandes, Natan Dias [1 ]
Messias Monteiro, Alex France [1 ]
Rodrigues de Medeiros, Herbert Igor [1 ]
Scotti, Marcus Tullius [1 ]
Scotti, Luciana [1 ,2 ]
机构
[1] Univ Fed Paraiba, Hlth Sci Ctr, BR-58051900 Joao Pessoa, Paraiba, Brazil
[2] Univ Fed Paraiba, Teaching & Res Management Univ Hosp, Joao Pessoa, Paraiba, Brazil
关键词
Alzheimer's disease; in silico; molecular docking; molecular dynamics; QSAR; molecular learning; OXIDATIVE STRESS; AMYLOID-BETA; IN-SILICO; DYNAMICS; TARGET; DOCKING; DRUG; INHIBITORS; SAFETY; VITRO;
D O I
10.2174/0929867328666210603104749
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:7808 / 7829
页数:22
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