Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds

Komponen yang aktif daripada segi biologi 26(a-j) and 27(a-j) yang mempunyai terbitan piperidone telah disintesis dengan mengabungkan terbitan asetofenon dengan pelbagai terbitan 3,5-bis(arylidenepiperidin)-4-on dengan kehadiran K2CO3 sebagai pemangkin dibawah tindak balas penggantian nukleofilik...

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Main Author:	Idris, Nor Hashima
Format:	Thesis
Language:	English
Published:	2016
Subjects:	QD1-999 Chemistry
Online Access:	http://eprints.usm.my/31570/1/NOR_HASHIMA_BINTI_IDRIS_24.pdf
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spelling	my-usm-ep.315702019-04-12T05:25:26Z Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds 2016-02 Idris, Nor Hashima QD1-999 Chemistry Komponen yang aktif daripada segi biologi 26(a-j) and 27(a-j) yang mempunyai terbitan piperidone telah disintesis dengan mengabungkan terbitan asetofenon dengan pelbagai terbitan 3,5-bis(arylidenepiperidin)-4-on dengan kehadiran K2CO3 sebagai pemangkin dibawah tindak balas penggantian nukleofilik. Sebatian yang disintesis diperolehi dengan purata hasil 58.00-89.90 % dan dicirikan secara menyeluruh dengan IR, 1H NMR, 13C NMR, DEPT dan analisis unsur. Struktur sebatian selanjutnya dikenal pasti dengan teknik spektroskopi 2D NMR (COSY, HSQC dan HMBC) dan juga kristalografi sinar X. Sebatian yang disintesis disaring secara maya menggunakan struktur model homologi Wilchapong melalui kajian pendokan molekul dengan menggunakan AutoDock 4.2.5 untuk mendedahkan mekanisme interaksi ikatan dan orientasi sebatian terhadap protease DENV2 NS2BNS3. New biologically active compounds 26(a-j) and 27(a-j) comprising piperidone derivatives were synthesized by incorporating acetophenone derivatives with varies of 3,5-bis(arylidenepiperidine)-4-one derivatives in the presence of K2CO3 as catalyst under nucleophilic substitution reaction. The synthesized compounds were obtained in the range of 58.0-89.9 % yields and were fully characterized by IR, 1H NMR, 13C NMR, DEPT and elemental analysis. The structures of some compounds were further confirmed by 2D NMR (COSY, HSQC and HMBC) spectroscopic techniques as well as X-ray crystallography. The synthesized compounds were virtually screened using Wilchapong homology model structure through molecular docking study by AutoDock 4.2.5 to disclose the binding interaction mechanism and orientation of the compounds towards DENV2 NS2BNS3 protease. 2016-02 Thesis http://eprints.usm.my/31570/ http://eprints.usm.my/31570/1/NOR_HASHIMA_BINTI_IDRIS_24.pdf application/pdf en public masters Universiti Sains Malaysia Pusat Pengajian Sains Kimia (School of Chemical Sciences)
institution	Universiti Sains Malaysia
collection	USM Institutional Repository
language	English
topic	QD1-999 Chemistry
spellingShingle	QD1-999 Chemistry Idris, Nor Hashima Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
description	Komponen yang aktif daripada segi biologi 26(a-j) and 27(a-j) yang mempunyai terbitan piperidone telah disintesis dengan mengabungkan terbitan asetofenon dengan pelbagai terbitan 3,5-bis(arylidenepiperidin)-4-on dengan kehadiran K2CO3 sebagai pemangkin dibawah tindak balas penggantian nukleofilik. Sebatian yang disintesis diperolehi dengan purata hasil 58.00-89.90 % dan dicirikan secara menyeluruh dengan IR, 1H NMR, 13C NMR, DEPT dan analisis unsur. Struktur sebatian selanjutnya dikenal pasti dengan teknik spektroskopi 2D NMR (COSY, HSQC dan HMBC) dan juga kristalografi sinar X. Sebatian yang disintesis disaring secara maya menggunakan struktur model homologi Wilchapong melalui kajian pendokan molekul dengan menggunakan AutoDock 4.2.5 untuk mendedahkan mekanisme interaksi ikatan dan orientasi sebatian terhadap protease DENV2 NS2BNS3. New biologically active compounds 26(a-j) and 27(a-j) comprising piperidone derivatives were synthesized by incorporating acetophenone derivatives with varies of 3,5-bis(arylidenepiperidine)-4-one derivatives in the presence of K2CO3 as catalyst under nucleophilic substitution reaction. The synthesized compounds were obtained in the range of 58.0-89.9 % yields and were fully characterized by IR, 1H NMR, 13C NMR, DEPT and elemental analysis. The structures of some compounds were further confirmed by 2D NMR (COSY, HSQC and HMBC) spectroscopic techniques as well as X-ray crystallography. The synthesized compounds were virtually screened using Wilchapong homology model structure through molecular docking study by AutoDock 4.2.5 to disclose the binding interaction mechanism and orientation of the compounds towards DENV2 NS2BNS3 protease.
format	Thesis
qualification_level	Master's degree
author	Idris, Nor Hashima
author_facet	Idris, Nor Hashima
author_sort	Idris, Nor Hashima
title	Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
title_short	Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
title_full	Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
title_fullStr	Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
title_full_unstemmed	Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds
title_sort	synthesis, characterization and in silico studies of piperidone derivatives: dengue protease inhibitory studies on selected compounds
granting_institution	Universiti Sains Malaysia
granting_department	Pusat Pengajian Sains Kimia (School of Chemical Sciences)
publishDate	2016
url	http://eprints.usm.my/31570/1/NOR_HASHIMA_BINTI_IDRIS_24.pdf
_version_	1747820453080072192

Synthesis, Characterization And In Silico Studies Of Piperidone Derivatives: Dengue Protease Inhibitory Studies On Selected Compounds

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