Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus

Dengue is recognized as one of the most prevalent arthropod-borne viral diseases in human. In these few decades, the pathogenic dengue virus (DENV) has become a serious threat to global health and the World Health Organization’s (WHO) database shows an increase of reported dengue cases by 800% withi...

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Main Author:	Ismail, Ahmad Ghazali
Format:	Thesis
Language:	English
Published:	2021
Subjects:	RS1-441 Pharmacy and materia medica
Online Access:	http://eprints.usm.my/52453/1/AHMAD%20GHAZALI%20BIN%20ISMAIL%20-%20TESIS24.pdf
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spelling	my-usm-ep.524532022-04-30T04:46:38Z Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus 2021-10 Ismail, Ahmad Ghazali RS1-441 Pharmacy and materia medica Dengue is recognized as one of the most prevalent arthropod-borne viral diseases in human. In these few decades, the pathogenic dengue virus (DENV) has become a serious threat to global health and the World Health Organization’s (WHO) database shows an increase of reported dengue cases by 800% within the period of 2000 to 2019; with a significant jump from 505,430 cases in year 2000 to over 2.4 million cases in 2010 and to over 4.2 million cases in 2019. Hence a suitable vaccine must be developed as soon as possible. The possible interaction between dengue NS2B/NS3 protease binding site and the suggested peptidic inhibitors using computational method, investigate the suitable peptide length for designing NS2B/NS3 dengue protease inhibitor and evaluate the selected peptides using in-vitro protease assay was tested for this study. The peptide substrate, Arg-Arg-Arg-Arg-Ser- Ala-Gly-Met (RRRRSAGM) from the capsid’s cleavage region was chosen as a starting ligand and the complex three-dimensional structure of the NS2B/NS3 protease homology model from Wichapong et al., 2009 was selected and used as the target molecule in for this study. MOE software was being used for molecular docking in this study. Tripeptide is the most suitable peptide length for designing a peptidic NS2B/NS3pro dengue protease inhibitor. The graph trend Tri 1.3 (Arg-Ser-Ala) and Tri 3.1 (Arg-Ala-Arg) always ranked higher than Tetra 1.2(Arg-Arg-Ser-Ala) eventhough Tetra 1.2 had similar peptide sequence with Tri 1.3. This result even enhances the findings that tripeptide is the more favourable peptide length for designing an NS2B/NS3pro antagonist. 2021-10 Thesis http://eprints.usm.my/52453/ http://eprints.usm.my/52453/1/AHMAD%20GHAZALI%20BIN%20ISMAIL%20-%20TESIS24.pdf application/pdf en public masters Universiti Sains Malaysia. Pusat Pengajian Sains Farmasi
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	RS1-441 Pharmacy and materia medica
spellingShingle	RS1-441 Pharmacy and materia medica Ismail, Ahmad Ghazali Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
description	Dengue is recognized as one of the most prevalent arthropod-borne viral diseases in human. In these few decades, the pathogenic dengue virus (DENV) has become a serious threat to global health and the World Health Organization’s (WHO) database shows an increase of reported dengue cases by 800% within the period of 2000 to 2019; with a significant jump from 505,430 cases in year 2000 to over 2.4 million cases in 2010 and to over 4.2 million cases in 2019. Hence a suitable vaccine must be developed as soon as possible. The possible interaction between dengue NS2B/NS3 protease binding site and the suggested peptidic inhibitors using computational method, investigate the suitable peptide length for designing NS2B/NS3 dengue protease inhibitor and evaluate the selected peptides using in-vitro protease assay was tested for this study. The peptide substrate, Arg-Arg-Arg-Arg-Ser- Ala-Gly-Met (RRRRSAGM) from the capsid’s cleavage region was chosen as a starting ligand and the complex three-dimensional structure of the NS2B/NS3 protease homology model from Wichapong et al., 2009 was selected and used as the target molecule in for this study. MOE software was being used for molecular docking in this study. Tripeptide is the most suitable peptide length for designing a peptidic NS2B/NS3pro dengue protease inhibitor. The graph trend Tri 1.3 (Arg-Ser-Ala) and Tri 3.1 (Arg-Ala-Arg) always ranked higher than Tetra 1.2(Arg-Arg-Ser-Ala) eventhough Tetra 1.2 had similar peptide sequence with Tri 1.3. This result even enhances the findings that tripeptide is the more favourable peptide length for designing an NS2B/NS3pro antagonist.
format	Thesis
qualification_level	Master's degree
author	Ismail, Ahmad Ghazali
author_facet	Ismail, Ahmad Ghazali
author_sort	Ismail, Ahmad Ghazali
title	Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
title_short	Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
title_full	Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
title_fullStr	Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
title_full_unstemmed	Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus
title_sort	molecular modelling and biological evaluation of peptide based inhibitors for dengue virus
granting_institution	Universiti Sains Malaysia.
granting_department	Pusat Pengajian Sains Farmasi
publishDate	2021
url	http://eprints.usm.my/52453/1/AHMAD%20GHAZALI%20BIN%20ISMAIL%20-%20TESIS24.pdf
_version_	1747822182944210944

Molecular Modelling And Biological Evaluation Of Peptide Based Inhibitors For Dengue Virus

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