Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)

Protein Arginine Deiminase IV (PAD4) is a new target for rheumatoid arthritis (RA) therapeutic. The enzyme catalyzes the citrullination process in human body that produces citrullinated protein which is believed to be the root cause of RA. The search for inhibitor for the enzyme could lead to the di...

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Main Authors:	Teo, Chian Ying, Ibrahim, Zalikha, Abdul Rahman, Mohd Basyaruddin, Tejo, Bimo Ario
Format:	Article
Language:	English
Published:	ScienceDirect 2018
Subjects:	RS Pharmacy and materia medica
Online Access:	http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/1/42277_Structure-based%20design%20of%20peptide.pdf

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recordtype	eprints
spelling	iium-422772018-06-12T05:34:28Z http://irep.iium.edu.my/42277/ Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4) Teo, Chian Ying Ibrahim, Zalikha Abdul Rahman, Mohd Basyaruddin Tejo, Bimo Ario RS Pharmacy and materia medica Protein Arginine Deiminase IV (PAD4) is a new target for rheumatoid arthritis (RA) therapeutic. The enzyme catalyzes the citrullination process in human body that produces citrullinated protein which is believed to be the root cause of RA. The search for inhibitor for the enzyme could lead to the discovery of drug for the treatment of RA. Peptide-based drugs attract attention from public for their attractive advantages such as high specificity and low toxicity in comparison to conventional small molecule drugs. As peptide is a natural substance, introduction of peptide-based drug to human body is believed to have less negative impact compared to small molecules. Strong binding between the peptide-based inhibitor to the receptor can be achieved by structure modification of the existing natural amino acids. Combination of the CADD techniques and peptide-based drug design can be a fascinating method in designing PAD4 inhibitors with strong binding and low toxicity properties. In this article, we explained our work on systematic design of peptide inhibitor for PAD4. Due to specific shape of PAD4 binding pocket, the anatomy of the peptide inhibitor must consist of the “backbone”, “neck” and “warhead” parts. We discovered that peptide inhibitors containing furan ring was the “warhead” show high potential in inhibiting PAD4 and the peptide can be modified to be a better drug candidate for treatment of rheumatoid arthritis. ScienceDirect 2018 Article PeerReviewed application/pdf en http://irep.iium.edu.my/42277/1/42277_Structure-based%20design%20of%20peptide.pdf Teo, Chian Ying and Ibrahim, Zalikha and Abdul Rahman, Mohd Basyaruddin and Tejo, Bimo Ario (2018) Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4). Reference Module in Life Sciences, 2018. pp. 1-12. ISSN 978-0-12-809633-8 https://www.sciencedirect.com/science/article/pii/B9780128096338201568 10.1016/B978-0-12-809633-8.20156-8
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	RS Pharmacy and materia medica
spellingShingle	RS Pharmacy and materia medica Teo, Chian Ying Ibrahim, Zalikha Abdul Rahman, Mohd Basyaruddin Tejo, Bimo Ario Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
description	Protein Arginine Deiminase IV (PAD4) is a new target for rheumatoid arthritis (RA) therapeutic. The enzyme catalyzes the citrullination process in human body that produces citrullinated protein which is believed to be the root cause of RA. The search for inhibitor for the enzyme could lead to the discovery of drug for the treatment of RA. Peptide-based drugs attract attention from public for their attractive advantages such as high specificity and low toxicity in comparison to conventional small molecule drugs. As peptide is a natural substance, introduction of peptide-based drug to human body is believed to have less negative impact compared to small molecules. Strong binding between the peptide-based inhibitor to the receptor can be achieved by structure modification of the existing natural amino acids. Combination of the CADD techniques and peptide-based drug design can be a fascinating method in designing PAD4 inhibitors with strong binding and low toxicity properties. In this article, we explained our work on systematic design of peptide inhibitor for PAD4. Due to specific shape of PAD4 binding pocket, the anatomy of the peptide inhibitor must consist of the “backbone”, “neck” and “warhead” parts. We discovered that peptide inhibitors containing furan ring was the “warhead” show high potential in inhibiting PAD4 and the peptide can be modified to be a better drug candidate for treatment of rheumatoid arthritis.
format	Article
author	Teo, Chian Ying Ibrahim, Zalikha Abdul Rahman, Mohd Basyaruddin Tejo, Bimo Ario
author_facet	Teo, Chian Ying Ibrahim, Zalikha Abdul Rahman, Mohd Basyaruddin Tejo, Bimo Ario
author_sort	Teo, Chian Ying
title	Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
title_short	Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
title_full	Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
title_fullStr	Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
title_full_unstemmed	Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)
title_sort	structure-based design of peptide inhibitors for protein arginine deiminase type iv (pad4)
publisher	ScienceDirect
publishDate	2018
url	http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/ http://irep.iium.edu.my/42277/1/42277_Structure-based%20design%20of%20peptide.pdf
first_indexed	2023-09-18T21:00:17Z
last_indexed	2023-09-18T21:00:17Z
_version_	1777410577945067520

Structure-based design of peptide inhibitors for Protein Arginine Deiminase Type IV (PAD4)

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