scholarly journals Molecular Docking, Synthesis, in Silico and in vitro Screening of Substituted Aryl Ureido Analogues as BACE1 Inhibitors to target Alzheimer’s Disease

2018 ◽  
Vol 11 (4) ◽  
Author(s):  
Archana S Gurjar
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
In Silico ◽  
In Vitro Screening

scholarly journals Anti-Aggregation Property of Allicin by In Vitro and Molecular Docking Studies

2019 ◽  
Vol 13 ◽  
pp. 117906951986618 ◽  
Author(s):  
Suresh Kumar ◽  
Shivani Kumar ◽  
Heera Ram
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
Molecular Interaction ◽  
Fibril Formation ◽  
Amyloid Peptide ◽  
Peptide Aggregation ◽  
Aβ Peptide ◽  
In Silico Studies

Amyloidogenesis is the process in which amyloid beta (Aβ) peptide aggregation results in plaque formation in central nervous system (CNS) are associated with many neurological diseases such as Alzheimer’s disease. The peptide aggregation initiated from peptide monomers results in formation of dimers, tetramers, fibrils, and protofibrils. The ability of allicin, a lipid-soluble volatile organosulfur biological compound, present in freshly crushed garlic ( Allium sativum L.) to inhibit fibril formation by the Aβ peptide in vitro was investigated in the present study. Inhibition of fibrillogenesis was measured by a Thioflavin T (ThT) fluorescence assay and visualized by transmission electron microscopy (TEM). The molecular interaction between allicin and Aβ peptide was also demonstrated by in silico studies. The results show that allicin strongly inhibited Aβ fibrils by 97% at 300 µM, compared with control (Aβ only) ( P < .001). These results were further validated by visual of fibril formation by transmission microscopy and molecular interaction of amyloid peptide with allicin by molecular docking. Aβ forms favourable hydrophobic interaction with Ile32, Met35, Val36, and Val39, and oxygen of allicin forms hydrogen bond with the amino acid residue Lys28. Allicin anti-amyloidogenic property suggests that this naturally occurring compound may have potential to ameliorate and prevent Alzheimer’s disease.

scholarly journals Functionalized aromatic esters of the Amaryllidaceae alkaloid haemanthamine and their in vitro and in silico biological activity connected to Alzheimer’s disease

2020 ◽  
Vol 100 ◽  
pp. 103928
Author(s):  
Rozálie Peřinová ◽  
Negar Maafi ◽  
Jan Korábečný ◽  
Eliška Kohelová ◽  
Angela De Simone ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Biological Activity ◽  
In Silico ◽  
Aromatic Esters

Neuroprotective effects of bergenin in Alzheimer’s disease: Investigation through molecular docking, in vitro and in vivo studies

2019 ◽  
Vol 356 ◽  
pp. 18-40 ◽  
Author(s):  
Priyal Barai ◽  
Nisith Raval ◽  
Sanjeev Acharya ◽  
Ankit Borisa ◽  
Hardik Bhatt ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
In Vivo Studies ◽  
Neuroprotective Effects

Anacardic Acid Complexes as Possible Agents Against Alzheimer’s Disease Through Their Antioxidant, In vitro, and In silico Anticholinesterase and Ansiolic Actions

2020 ◽  
Author(s):  
Wildson Max Barbosa da Silva ◽  
Solange de Oliveira Pinheiro ◽  
Daniela Ribeiro Alves ◽  
Jane Eire Silva Alencar de Menezes ◽  
Francisco Ernani Alves Magalhães ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
Anacardic Acid

In silico Molecular docking of Luteolin from Momordica charantia for dementia in Alzheimer's disease

2020 ◽  
Vol 13 (5) ◽  
pp. 2381
Author(s):  
T. Tamilanban ◽  
V Naveen Kumar ◽  
J Narayanan ◽  
S Prathusa ◽  
N Dhivya ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
In Silico ◽  
Momordica Charantia ◽  
In Silico Molecular Docking

scholarly journals Discovery of Dihydrochalcone as Potential Lead for Alzheimer’s Disease: In Silico and In Vitro Study

PLoS ONE ◽  
2013 ◽  
Vol 8 (11) ◽  
pp. e79151 ◽  
Author(s):  
Man Hoang Viet ◽  
Chun-Yu Chen ◽  
Chin-Kun Hu ◽  
Yun-Ru Chen ◽  
Mai Suan Li
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
In Vitro Study ◽  
Vitro Study

In silico drug repositioning for the treatment of Alzheimer's disease using molecular docking and gene expression data

RSC Advances ◽  
2016 ◽  
Vol 6 (100) ◽  
pp. 98080-98090 ◽  
Author(s):  
Hongbo Xie ◽  
Haixia Wen ◽  
Mingze Qin ◽  
Jie Xia ◽  
Denan Zhang ◽  
...  
Keyword(s):  
Gene Expression ◽  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
Gene Expression Data ◽  
In Silico ◽  
Drug Repositioning ◽  
Expression Data

We provided a computational drug repositioning method for the treatment of Alzheimer's disease.

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