In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))

Protein Arginine Deiminase IV (PAD4) is a promising target for treating rheumatoid arthritis. Here, an in-silico screening was performed using PAD4 crystal structure against National Cancer Institute Diversity Set III compounds. Results obtained from the docking studies showed that the compounds hav...

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Main Authors:	Ibrahim, Zalikha, Tejo, Bimo Ario, Mohammad Latif, Muhammad Alif, Karjiban, Roghayeh Abedi, Salleh, Abu Bakar, Abdul Rahman, Mohd Basyaruddin
Format:	Article
Language:	English English
Published:	Faculty of Science and Technology, Universiti Kebangsaan Malaysia 2016
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/1/Zalikha_20_6_5_SKAM2015.pdf http://irep.iium.edu.my/57350/2/57350-In-Silico%20identification%20of%20potential%20protein_SCOPUS.pdf

id	iium-57350
recordtype	eprints
spelling	iium-573502017-06-21T01:21:34Z http://irep.iium.edu.my/57350/ In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4)) Ibrahim, Zalikha Tejo, Bimo Ario Mohammad Latif, Muhammad Alif Karjiban, Roghayeh Abedi Salleh, Abu Bakar Abdul Rahman, Mohd Basyaruddin QD Chemistry Protein Arginine Deiminase IV (PAD4) is a promising target for treating rheumatoid arthritis. Here, an in-silico screening was performed using PAD4 crystal structure against National Cancer Institute Diversity Set III compounds. Results obtained from the docking studies showed that the compounds have high affinity towards the protein. Visual inspections of the top compounds indicated that they preferred to bind at the front door of the catalytic pocket instead of the back door. The current results from this screening could provide a basis for the development of new PAD4 inhibitors Protin arginina deiminase IV (PAD4) adalah sasaran yang berharapan untuk merawat artritis reumatoid. Di sini, satu saringan insilico telah dilakukan menggunakan struktur kristal PAD4 terhadap molekul dari Set Beraneka Institut Kanser Nasional III. Keputusan dari pengdokan molekular menunjukkan molekul-molekul tersebut mempunyai daya tarikan yang tinggi terhadap protin. Pemeriksaan secara visual ke atas molekul teratas menunjukkan mereka mempunyai kecenderungan untuk terikat di pintu hadapan poket katalisis daripada di pintu belakang. Keputusan daripada pencarian ini boleh menjadi asas kepada penemuan perencat PAD4 yang baru. Faculty of Science and Technology, Universiti Kebangsaan Malaysia 2016 Article PeerReviewed application/pdf en http://irep.iium.edu.my/57350/1/Zalikha_20_6_5_SKAM2015.pdf application/pdf en http://irep.iium.edu.my/57350/2/57350-In-Silico%20identification%20of%20potential%20protein_SCOPUS.pdf Ibrahim, Zalikha and Tejo, Bimo Ario and Mohammad Latif, Muhammad Alif and Karjiban, Roghayeh Abedi and Salleh, Abu Bakar and Abdul Rahman, Mohd Basyaruddin (2016) In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4)). Malaysian Journal of Analytical Sciences, 20 (6). pp. 1269-1277. ISSN 1394-2506 http://www.ukm.my/mjas/v20_n6/pdf/Zalikha_20_6_5.pdf 10.17576/mjas-2016-2006-05
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English
topic	QD Chemistry
spellingShingle	QD Chemistry Ibrahim, Zalikha Tejo, Bimo Ario Mohammad Latif, Muhammad Alif Karjiban, Roghayeh Abedi Salleh, Abu Bakar Abdul Rahman, Mohd Basyaruddin In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
description	Protein Arginine Deiminase IV (PAD4) is a promising target for treating rheumatoid arthritis. Here, an in-silico screening was performed using PAD4 crystal structure against National Cancer Institute Diversity Set III compounds. Results obtained from the docking studies showed that the compounds have high affinity towards the protein. Visual inspections of the top compounds indicated that they preferred to bind at the front door of the catalytic pocket instead of the back door. The current results from this screening could provide a basis for the development of new PAD4 inhibitors Protin arginina deiminase IV (PAD4) adalah sasaran yang berharapan untuk merawat artritis reumatoid. Di sini, satu saringan insilico telah dilakukan menggunakan struktur kristal PAD4 terhadap molekul dari Set Beraneka Institut Kanser Nasional III. Keputusan dari pengdokan molekular menunjukkan molekul-molekul tersebut mempunyai daya tarikan yang tinggi terhadap protin. Pemeriksaan secara visual ke atas molekul teratas menunjukkan mereka mempunyai kecenderungan untuk terikat di pintu hadapan poket katalisis daripada di pintu belakang. Keputusan daripada pencarian ini boleh menjadi asas kepada penemuan perencat PAD4 yang baru.
format	Article
author	Ibrahim, Zalikha Tejo, Bimo Ario Mohammad Latif, Muhammad Alif Karjiban, Roghayeh Abedi Salleh, Abu Bakar Abdul Rahman, Mohd Basyaruddin
author_facet	Ibrahim, Zalikha Tejo, Bimo Ario Mohammad Latif, Muhammad Alif Karjiban, Roghayeh Abedi Salleh, Abu Bakar Abdul Rahman, Mohd Basyaruddin
author_sort	Ibrahim, Zalikha
title	In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
title_short	In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
title_full	In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
title_fullStr	In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
title_full_unstemmed	In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))
title_sort	in-silico identification of potential protein arginine deiminase iv (pad4) inhibitors = pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase iv (pad4))
publisher	Faculty of Science and Technology, Universiti Kebangsaan Malaysia
publishDate	2016
url	http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/ http://irep.iium.edu.my/57350/1/Zalikha_20_6_5_SKAM2015.pdf http://irep.iium.edu.my/57350/2/57350-In-Silico%20identification%20of%20potential%20protein_SCOPUS.pdf
first_indexed	2023-09-18T21:21:04Z
last_indexed	2023-09-18T21:21:04Z
_version_	1777411884638535680

In-silico identification of potential protein arginine deiminase IV (PAD4) inhibitors = Pengenalpastian in-silico yang berpotensi sebagai perencat protin arginina deiminase IV (PAD4))

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