Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives

Alzheimer Disease (AD) is a deadly neurodegenerative disease which cause irreversible memory loss and progressive cognitive dysfunction, together with impaired language skill and personality changes. Even though the exact cause of AD is not fully understood, some factors such as low levels of neurot...

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Main Author:	Kamarudin, Natasha Amira
Format:	Thesis
Language:	English
Published:	2020
Subjects:	QD Chemistry
Online Access:	http://eprints.utm.my/id/eprint/102447/1/NatashaAmiraKamarudinMFS2020.pdf.pdf
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spelling	my-utm-ep.1024472023-08-28T06:41:53Z Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives 2020 Kamarudin, Natasha Amira QD Chemistry Alzheimer Disease (AD) is a deadly neurodegenerative disease which cause irreversible memory loss and progressive cognitive dysfunction, together with impaired language skill and personality changes. Even though the exact cause of AD is not fully understood, some factors such as low levels of neurotransmitter acetylcholine (ACh) is believed to play a vital role in the progress of AD. Hence, the most promising method for the treatment of AD is to increase the levels of ACh in the brain by inhibiting the acetylcholinesterase (AChE) enzyme. However, due to the complex nature of AD, standard drugs with AChE inhibitors such as galanthamine, donepezil, rivastigmine and tacrine can only alleviate the symptoms but cannot cure neurodegeneration. Thus, it is significant to develop multifunctional drugs which are Multi-Target Directed Ligands (MTDLs) as the best approach for the treatment of AD. Based on previous studies, coumarin derivatives possess a wide range of biological activities such as a potent AChE inhibitor. Thus, the objectives of this study are to carry in silico evaluation of the extracted AChE protein and perform molecular docking of psoralen derivatives which is also known as furocoumarin, with AChE protein. Acetylcholinesterase inhibitory activity of psoralen derivatives was also conducted. Results from molecular docking shows potential of compound (21) as AChE inhibitors due to its highest binding energy value. It was further supported by the result from acetylcholinesterase inhibitor activity, whereby compound (21) has 91.69% inhibition which is comparable to galantamine (94.12%). 2020 Thesis http://eprints.utm.my/id/eprint/102447/ http://eprints.utm.my/id/eprint/102447/1/NatashaAmiraKamarudinMFS2020.pdf.pdf application/pdf en public http://dms.library.utm.my:8080/vital/access/manager/Repository/vital:146245 masters Universiti Teknologi Malaysia Faculty of Science
institution	Universiti Teknologi Malaysia
collection	UTM Institutional Repository
language	English
topic	QD Chemistry
spellingShingle	QD Chemistry Kamarudin, Natasha Amira Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
description	Alzheimer Disease (AD) is a deadly neurodegenerative disease which cause irreversible memory loss and progressive cognitive dysfunction, together with impaired language skill and personality changes. Even though the exact cause of AD is not fully understood, some factors such as low levels of neurotransmitter acetylcholine (ACh) is believed to play a vital role in the progress of AD. Hence, the most promising method for the treatment of AD is to increase the levels of ACh in the brain by inhibiting the acetylcholinesterase (AChE) enzyme. However, due to the complex nature of AD, standard drugs with AChE inhibitors such as galanthamine, donepezil, rivastigmine and tacrine can only alleviate the symptoms but cannot cure neurodegeneration. Thus, it is significant to develop multifunctional drugs which are Multi-Target Directed Ligands (MTDLs) as the best approach for the treatment of AD. Based on previous studies, coumarin derivatives possess a wide range of biological activities such as a potent AChE inhibitor. Thus, the objectives of this study are to carry in silico evaluation of the extracted AChE protein and perform molecular docking of psoralen derivatives which is also known as furocoumarin, with AChE protein. Acetylcholinesterase inhibitory activity of psoralen derivatives was also conducted. Results from molecular docking shows potential of compound (21) as AChE inhibitors due to its highest binding energy value. It was further supported by the result from acetylcholinesterase inhibitor activity, whereby compound (21) has 91.69% inhibition which is comparable to galantamine (94.12%).
format	Thesis
qualification_level	Master's degree
author	Kamarudin, Natasha Amira
author_facet	Kamarudin, Natasha Amira
author_sort	Kamarudin, Natasha Amira
title	Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
title_short	Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
title_full	Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
title_fullStr	Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
title_full_unstemmed	Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
title_sort	molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives
granting_institution	Universiti Teknologi Malaysia
granting_department	Faculty of Science
publishDate	2020
url	http://eprints.utm.my/id/eprint/102447/1/NatashaAmiraKamarudinMFS2020.pdf.pdf
_version_	1776100925172088832

Molecular docking and acetylcholinesterase inhibitory activity of psoralen derivatives

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