Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids

Cancer is one of the leading diseases across the globe, and breast cancer has become the most common disease among women. There is an ongoing search for a new chemotherapeutic agent to control this condition due to the limitations of existing anticancer drugs, such as the adverse effects and drug re...

Full description

Saved in:

Bibliographic Details
Main Author:	Bakar, Bazri Izwan
Format:	Thesis
Language:	English
Published:	2023
Subjects:	QD1-999 Chemistry
Online Access:	http://eprints.usm.my/60226/1/BAZRI%20IZWAN%20BIN%20BAKAR%20-%20TESIS%20cut.pdf
Tags:	Add Tag No Tags, Be the first to tag this record!

id	my-usm-ep.60226
record_format	uketd_dc
spelling	my-usm-ep.602262024-03-19T07:12:52Z Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids 2023-08 Bakar, Bazri Izwan QD1-999 Chemistry Cancer is one of the leading diseases across the globe, and breast cancer has become the most common disease among women. There is an ongoing search for a new chemotherapeutic agent to control this condition due to the limitations of existing anticancer drugs, such as the adverse effects and drug resistance. Compounds that consist of scaffolds from natural products such as chalcone and pyrazoline have shown diverse pharmacological activity, particularly as an anticancer agent. Hybrid compounds consisting of more than one active pharmacophore have proven to target various mechanisms of action. In this study, hybrid imidazole-chalcones, 1–3 were synthesised via a Claisen-Schmidt condensation reaction. The cyclisation of these compounds formed imidazole-pyrazoline derivatives, 1-3 (i-iii). Fourier Transform Infrared (FTIR) and Nuclear Magnetic Resonance (NMR) spectroscopies were utilised to characterise all these compounds. The molecular docking of these compounds (ligands) with estrogen receptor alpha protein (3ERT) was performed using AutoDock 4.2 software to investigate their interactions. Further in silico study using SwissADME web tools was performed to analyse their physicochemical and pharmacokinetic properties and drug-likeness properties. The in vitro cytotoxicity activity was assessed by utilising an MTT assay against the breast cancer cell line, MCF-7 with Tamoxifen as a positive control. The result emphasised that all compounds did not show significant inhibitory action. 2023-08 Thesis http://eprints.usm.my/60226/ http://eprints.usm.my/60226/1/BAZRI%20IZWAN%20BIN%20BAKAR%20-%20TESIS%20cut.pdf application/pdf en public masters Universiti Sains Malaysia Pusat Pengajian Sains Kimia
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	QD1-999 Chemistry
spellingShingle	QD1-999 Chemistry Bakar, Bazri Izwan Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
description	Cancer is one of the leading diseases across the globe, and breast cancer has become the most common disease among women. There is an ongoing search for a new chemotherapeutic agent to control this condition due to the limitations of existing anticancer drugs, such as the adverse effects and drug resistance. Compounds that consist of scaffolds from natural products such as chalcone and pyrazoline have shown diverse pharmacological activity, particularly as an anticancer agent. Hybrid compounds consisting of more than one active pharmacophore have proven to target various mechanisms of action. In this study, hybrid imidazole-chalcones, 1–3 were synthesised via a Claisen-Schmidt condensation reaction. The cyclisation of these compounds formed imidazole-pyrazoline derivatives, 1-3 (i-iii). Fourier Transform Infrared (FTIR) and Nuclear Magnetic Resonance (NMR) spectroscopies were utilised to characterise all these compounds. The molecular docking of these compounds (ligands) with estrogen receptor alpha protein (3ERT) was performed using AutoDock 4.2 software to investigate their interactions. Further in silico study using SwissADME web tools was performed to analyse their physicochemical and pharmacokinetic properties and drug-likeness properties. The in vitro cytotoxicity activity was assessed by utilising an MTT assay against the breast cancer cell line, MCF-7 with Tamoxifen as a positive control. The result emphasised that all compounds did not show significant inhibitory action.
format	Thesis
qualification_level	Master's degree
author	Bakar, Bazri Izwan
author_facet	Bakar, Bazri Izwan
author_sort	Bakar, Bazri Izwan
title	Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
title_short	Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
title_full	Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
title_fullStr	Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
title_full_unstemmed	Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids
title_sort	synthesis, cytotoxicity study, and molecular docking of new imidazole-based chalcone and pyrazoline hybrids
granting_institution	Universiti Sains Malaysia
granting_department	Pusat Pengajian Sains Kimia
publishDate	2023
url	http://eprints.usm.my/60226/1/BAZRI%20IZWAN%20BIN%20BAKAR%20-%20TESIS%20cut.pdf
_version_	1794024110393655296

Synthesis, Cytotoxicity Study, And Molecular Docking Of New Imidazole-Based Chalcone And Pyrazoline Hybrids

Similar Items