In silico study of Alzheimer’s disease in relation to FYN gene

2012 ◽  
Vol 4 (2) ◽  
pp. 153-160 ◽  
Author(s):  
Anand Anbarasu ◽  
Arpita Kundu
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
In Silico Study

scholarly journals In Silico Study of Centella asiatica Active Compound as BACE1 Inhibitor in Alzheimer’s Disease

JSMARTech ◽  
2020 ◽  
Vol 1 (2) ◽  
pp. 36-40
Author(s):  
Nala Mawaddani ◽  
◽  
Natalia RK Wibowo ◽  
Qumaira HH Nadhira ◽  
Ratih Ayu Pramifta ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Active Compound ◽  
In Silico ◽  
Centella Asiatica ◽  
Bace1 Inhibitor ◽  
In Silico Study

scholarly journals The Treatment of Alzheimer’s Disease through Molecular Docking Studies using Phyltetralin against Kallikrein_6: A Bioinformatic Approach

2021 ◽  
Vol 9 (VI) ◽  
pp. 3992-3999
Author(s):  
Sarita Negi
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Molecular Docking ◽  
Binding Energy ◽  
In Silico ◽  
Receptor Protein ◽  
Mean Square ◽  
Mean Square Deviation ◽  
In Silico Study ◽  
Kallikrein 6

Alzheimer's disease (AD) is a neurodegenerative disease that generally begins leisurely and gets worse with time. Alzheimer’s disease (AD) dementia is the specific beginning of age-related declination of cognitive abilities and function, which eventually leads to death. Alzheimer’s disease (AD) is one of the neurodeteriorating disorders which is one of the mostcritical complications that our current health care system faces. The phenomenon of molecular docking has progressively become a strong tool in the field of pharmaceutical research including drug discovery. The aim of the presentin silico study was to inhibit the expression of KLK-6 (kallikrein-6) which is a target or receptor protein by its interaction with three distinct secondary metabolites for treating Alzheimer's disease (AD) through molecular docking. Methods: The in-silico study was based on molecular docking. Docking was executed amidst ligands- Quercetin (CID: 5280343), Ricinoleic Acid (CID: 643684), Phyltetralin (CID: 11223782), and the target or receptor protein Kallikrein-6 (PDB ID: 1LO6). The protein and the ligands were downloaded in the required format. Through PyRx, the ligands were virtually screened after importing them in the PyRx window. The results of PyRx and SwissADME were analyzed and the best ligand was finalized. Among the three, Phyltetralin was the best ligand contrary to KLK-6 having minimum binding energy and it was following Lipinski’s five rules along with 0 violations. Results: The final docking was carried out between Phyltetralin and KLK-6 through AutoDock Vina. The outcome showed 9 poses with distinct binding energy, RSMD LB (root mean square deviation lower bound) and RSMD UB (root mean square deviation upper bound). With the help of PyMOL which is an open-access tool for molecular visualization, the interaction amidst Phyltetralin and KLK-6 can be visualized. Conclusion: Based on this in silico study it can be concluded that KLK-6 (kallikrein-6) which is responsible for causing AD can be inhibited by ligand Phyltetralin and for the treatment of AD, phyltetralin might act as a potential drug. Thus, in future studies, Phyltetralin from natural sources can prevent Alzheimer's disease and can be proved as a promising and efficient drug for treating Alzheimer's disease.

scholarly journals In Silico Study and Pharmacological Evaluation of Eplerinone as an Anti-Alzheimer’s Drug in STZ-Induced Alzheimer’s Disease Model

ACS Omega ◽  
2020 ◽  
Vol 5 (23) ◽  
pp. 13973-13983 ◽  
Author(s):  
Sundas Hira ◽  
Uzma Saleem ◽  
Fareeha Anwar ◽  
Zohaib Raza ◽  
Atta Ur Rehman ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
Disease Model ◽  
Pharmacological Evaluation ◽  
In Silico Study

scholarly journals IN SILICO STUDY OF ACETYLCHOLINESTERASE INHIBITION IN ALZHEIMER'S DISEASE USING CHEMICAL CONSTITUENTS OF CANNABIS

2020 ◽  
Author(s):  
Roxanne Vasquez ◽  
Teobaldo Cuya
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
Chemical Constituents ◽  
Acetylcholinesterase Inhibitor ◽  
Memory Loss ◽  
Acetylcholinesterase Inhibition ◽  
Chemical Derivatives ◽  
In Silico Study ◽  
Derivatives Of

In recent years, studies have shown that some chemical derivatives of the cannabis plant help in the prevention and treatment of neurological diseases. Alzheimer's disease (AD) is a progressive form of dementia, which there is no cure. Therefore, its pharmacological treatment is crucial as it can help reduce the symptoms such as memory loss. Due to the limited choices of drug treatments for AD, this research will be using 9 chemical derivatives of the Cannabis plant as potential drug alternative. There is reduced levels of acetylcholine (ACh) neurotransmitter with AD patients, due to its hydrolysis carried out by the enzyme acetylcholinesterase (AChE). Thus, the focus of this in silico study will be if these 9 substances have the capacity to act as a human enzyme acetylcholinesterase inhibitor (HssAChE). Results shows that at least one Cannabis compound “Cannabicyclol” have a comparable binding energy to the commercial drug Donepezil. Moreover, the results gives insights about the what are the relevant residues in the binding process and the potential therapeutic properties of the cannabis compounds relating to the AD treatment.

Phytochemicals for drug discovery in Alzheimer’s disease: In silico Advances

2020 ◽  
Vol 26 ◽  
Author(s):  
Smriti Sharma ◽  
Vinayak Bhatia
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Design ◽  
In Silico ◽  
Drug Targets ◽  
Development Process ◽  
Phytochemical Analysis ◽  
Computational Drug Design ◽  
Novel Drugs ◽  
Game Changer

: The search for novel drugs that can prevent or control Alzheimer’s disease has attracted lot of attention from researchers across the globe. Phytochemicals are increasingly being used to provide scaffolds to design drugs for AD. In silico techniques, have proven to be a game-changer in this drug design and development process. In this review, the authors have focussed on current advances in the field of in silico medicine, applied to phytochemicals, to discover novel drugs to prevent or cure AD. After giving a brief context of the etiology and available drug targets for AD, authors have discussed the latest advances and techniques in computational drug design of AD from phytochemicals. Some of the prototypical studies in this area are discussed in detail. In silico phytochemical analysis is a tool of choice for researchers all across the globe and helps integrate chemical biology with drug design.

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