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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 8
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Research Articles

A series of molecular modeling techniques to reveal selective mechanisms of inhibitors to β-Site amyloid precursor protein cleaving enzyme 1 (BACE1) and β-site amyloid precursor protein cleaving enzyme 2 (BACE2)

Shipeng Lia Department of Neurosurgery, the First Affiliated Hospital of Kunming Medical University, Kunming, Yunnan Province, China
,
Hexiang Zhaoa Department of Neurosurgery, the First Affiliated Hospital of Kunming Medical University, Kunming, Yunnan Province, China
,
Jinghui Lia Department of Neurosurgery, the First Affiliated Hospital of Kunming Medical University, Kunming, Yunnan Province, China
,
Jiajia Haob Kunming Medical University Haiyuan College, Kunming, Yunnan Province, China
&
Hualin Yua Department of Neurosurgery, the First Affiliated Hospital of Kunming Medical University, Kunming, Yunnan Province, ChinaCorrespondence[email protected]
Pages 2824-2837 | Received 04 Mar 2020, Accepted 07 Apr 2020, Published online: 20 Apr 2020

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Mayra Ramos do Bomfim, Deyse Brito Barbosa, Paulo Batista de Carvalho, Alisson Marques da Silva, Tiago Alves de Oliveira, Alex Gutterres Taranto & Franco Henrique Andrade Leite. (2023) Identification of potential human beta-secretase 1 inhibitors by hierarchical virtual screening and molecular dynamics. Journal of Biomolecular Structure and Dynamics 41:10, pages 4560-4574.
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Articles from other publishers (5)

Weimin Qiu, Hui Liu, Yijun Liu, Xin Lu, Lei Wang, Yanyu Hu, Feng Feng, Qi Li & Haopeng Sun. (2023) Regulation of beta‐amyloid for the treatment of Alzheimer's disease: Research progress of therapeutic strategies and bioactive compounds. Medicinal Research Reviews 43:4, pages 1091-1140.
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Saroj Verma & Debashish Paramanick. 2023. Deciphering Drug Targets for Alzheimer’s Disease. Deciphering Drug Targets for Alzheimer’s Disease 95 109 .
Konstantinos D. Papavasileiou, Francesco Dondero, Georgia Melagraki & Antreas Afantitis. 2023. Computational Modeling of Drugs Against Alzheimer’s Disease. Computational Modeling of Drugs Against Alzheimer’s Disease 73 97 .
Iohanan Daniel García Marín, Raúl Horacio Camarillo López, Oscar Aurelio Martínez, Itzia Irene Padilla-Martínez, José Correa-Basurto & Martha Cecilia Rosales-Hernández. (2022) New compounds from heterocyclic amines scaffold with multitarget inhibitory activity on Aβ aggregation, AChE, and BACE1 in the Alzheimer disease. PLOS ONE 17:6, pages e0269129.
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Mazen Y. Hamed. (2020) Prediction of Drug Potencies of BACE1 Inhibitors: A Molecular Dynamics Simulation and MM_GB(PB)SA Scoring. Computation 8:4, pages 106.
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