In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives

In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives

Three new series of novel chalcone derivatives with promising anti-cancer activity were studied which are two series of tri-chalcone derivatives S1(1-7) and S2(1-7) and a series of mono-chalcone derivatives S3(1-7). Another three series of pyrazoline Ai-Aiii and pyrimidine Bi-Biii from mono-chalcone...

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Main Author: Alanazi, Menier Meteb Mohammad
Format: Thesis
Language:English
Published: 2021
Subjects:
QD1-999 Chemistry
Online Access:http://eprints.usm.my/51997/1/MENIER%20METEB%20MOHAMMAD%20ALANAZI.pdf
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spelling my-usm-ep.519972022-03-22T07:20:27Z In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives 2021-05 Alanazi, Menier Meteb Mohammad QD1-999 Chemistry Three new series of novel chalcone derivatives with promising anti-cancer activity were studied which are two series of tri-chalcone derivatives S1(1-7) and S2(1-7) and a series of mono-chalcone derivatives S3(1-7). Another three series of pyrazoline Ai-Aiii and pyrimidine Bi-Biii from mono-chalcone were also studied by AutoDock 4.2.6. The intermolecular interactions and binding energies of the proposed compounds were determined to be synthesised and characterized. The best compounds were selected for further investigation by MD simulation using AMBER 14. The following compounds of chalcone derivatives S1-1, S1-2, S2-1, S2-2, S3-1, S3-(3-5), pyrazoline derivatives Ai-Aiii and pyrimidine Bi-Biii from mono-chalcone S3-(1,3-5) demonstrated the highest binding affinity for the interaction with the active EGFR binding site. These selected chalcones, pyrazoline and pyrimidine derivatives were synthesised to test their cytotoxicity activity against breast cancer cell lines and EGFR inhibitory activity. Synthesis of the chalcone derivatives was performed via a Claisen-Schmidt condensation while the ring-closing of mono-chalcones formed the pyrazoline and pyrimidine derivatives. The chemical structures of the synthesised compounds were confirmed using spectroscopic techniques such as FTIR, 1H NMR, 13C NMR and elemental analysis (CHN analysis). Antiproliferative activity of the synthesised compounds against breast cancer cell lines (MCF-7 and MDA-MB-231) were evaluated using 3-(4,5-dimethylthiazole-2-yl)-2,5-diphenyltetrazolium bromide assay (MTT). 2021-05 Thesis http://eprints.usm.my/51997/ http://eprints.usm.my/51997/1/MENIER%20METEB%20MOHAMMAD%20ALANAZI.pdf application/pdf en public phd doctoral Perpustakaan Hamzah Sendut Pusat Pengajian Sains Kimia
institution Universiti Sains Malaysia
collection USM Institutional Repository
language English
topic QD1-999 Chemistry
spellingShingle QD1-999 Chemistry
Alanazi, Menier Meteb Mohammad
In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
description Three new series of novel chalcone derivatives with promising anti-cancer activity were studied which are two series of tri-chalcone derivatives S1(1-7) and S2(1-7) and a series of mono-chalcone derivatives S3(1-7). Another three series of pyrazoline Ai-Aiii and pyrimidine Bi-Biii from mono-chalcone were also studied by AutoDock 4.2.6. The intermolecular interactions and binding energies of the proposed compounds were determined to be synthesised and characterized. The best compounds were selected for further investigation by MD simulation using AMBER 14. The following compounds of chalcone derivatives S1-1, S1-2, S2-1, S2-2, S3-1, S3-(3-5), pyrazoline derivatives Ai-Aiii and pyrimidine Bi-Biii from mono-chalcone S3-(1,3-5) demonstrated the highest binding affinity for the interaction with the active EGFR binding site. These selected chalcones, pyrazoline and pyrimidine derivatives were synthesised to test their cytotoxicity activity against breast cancer cell lines and EGFR inhibitory activity. Synthesis of the chalcone derivatives was performed via a Claisen-Schmidt condensation while the ring-closing of mono-chalcones formed the pyrazoline and pyrimidine derivatives. The chemical structures of the synthesised compounds were confirmed using spectroscopic techniques such as FTIR, 1H NMR, 13C NMR and elemental analysis (CHN analysis). Antiproliferative activity of the synthesised compounds against breast cancer cell lines (MCF-7 and MDA-MB-231) were evaluated using 3-(4,5-dimethylthiazole-2-yl)-2,5-diphenyltetrazolium bromide assay (MTT).
format Thesis
qualification_name Doctor of Philosophy (PhD.)
qualification_level Doctorate
author Alanazi, Menier Meteb Mohammad
author_facet Alanazi, Menier Meteb Mohammad
author_sort Alanazi, Menier Meteb Mohammad
title In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
title_short In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
title_full In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
title_fullStr In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
title_full_unstemmed In Silico Study, Synthesis, Characterisation And Cytotoxicity Activity Of New Chalcone, Pyrazoline And Pyrimidine Derivatives
title_sort in silico study, synthesis, characterisation and cytotoxicity activity of new chalcone, pyrazoline and pyrimidine derivatives
granting_institution Perpustakaan Hamzah Sendut
granting_department Pusat Pengajian Sains Kimia
publishDate 2021
url http://eprints.usm.my/51997/1/MENIER%20METEB%20MOHAMMAD%20ALANAZI.pdf
_version_ 1747822123209981952

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