Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi

P-glycoprotein (Pgp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics. It acts as an efflux pump that prevents xenobiotics from entering sensitive organs. Pgp also plays a key role in the absorption and blood-brain barrier penetration of many drugs....

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Main Author:	Mohd Halimi, Hazureen
Format:	Thesis
Language:	English
Published:	2012
Subjects:	Peptides Amino acid sequence
Online Access:	https://ir.uitm.edu.my/id/eprint/66678/1/66678.pdf
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id	my-uitm-ir.66678
record_format	uketd_dc
spelling	my-uitm-ir.666782022-09-14T01:33:00Z Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi 2012 Mohd Halimi, Hazureen Peptides. Amino acid sequence Data processing. Bioinformatics P-glycoprotein (Pgp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics. It acts as an efflux pump that prevents xenobiotics from entering sensitive organs. Pgp also plays a key role in the absorption and blood-brain barrier penetration of many drugs. The overexpression of Pgp in cancer cells has been associated with multidrug resistance in tumors. To date, there is still no research has been done to identify the specific amino acid at the binding site in Pgp that vinblastine binds to computationally. Predictions of the binding sites were done using the QsiteFinder. This study also uses the Autodock software to find the amino acid residues that the vinblastine and rhodamine B interacts with. The results concluded that there are two binding sites predicted from Pgp which are the TM 6 and TM 12. The results also concluded that mouse Pgp interacts with Phe 332, Phe 339, He 336 in TM6. In TM 12, Leu 971, lie 977, Val 978, Gly 980 and Ala 981 were found to have interaction with mouse Pgp. Based on the findings of this study also, it can be concluded that drugs often bind to TM 6 and TM 12 that are important for function. Overall, this study suggested that the Autodock software provides a quick, and inexpensive way of evaluating potential drug efflux problem at the early stages of drug development. 2012 Thesis https://ir.uitm.edu.my/id/eprint/66678/ https://ir.uitm.edu.my/id/eprint/66678/1/66678.pdf text en public degree Universiti Teknologi MARA (UiTM) Faculty of Pharmacy Mohamed, Ruzianisra Jusoh@Yusof, Siti Azma
institution	Universiti Teknologi MARA
collection	UiTM Institutional Repository
language	English
advisor	Mohamed, Ruzianisra Jusoh@Yusof, Siti Azma
topic	Peptides Amino acid sequence Peptides Amino acid sequence
spellingShingle	Peptides Amino acid sequence Peptides Amino acid sequence Mohd Halimi, Hazureen Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
description	P-glycoprotein (Pgp) is an ATP-dependent transport protein that is selectively expressed at entry points of xenobiotics. It acts as an efflux pump that prevents xenobiotics from entering sensitive organs. Pgp also plays a key role in the absorption and blood-brain barrier penetration of many drugs. The overexpression of Pgp in cancer cells has been associated with multidrug resistance in tumors. To date, there is still no research has been done to identify the specific amino acid at the binding site in Pgp that vinblastine binds to computationally. Predictions of the binding sites were done using the QsiteFinder. This study also uses the Autodock software to find the amino acid residues that the vinblastine and rhodamine B interacts with. The results concluded that there are two binding sites predicted from Pgp which are the TM 6 and TM 12. The results also concluded that mouse Pgp interacts with Phe 332, Phe 339, He 336 in TM6. In TM 12, Leu 971, lie 977, Val 978, Gly 980 and Ala 981 were found to have interaction with mouse Pgp. Based on the findings of this study also, it can be concluded that drugs often bind to TM 6 and TM 12 that are important for function. Overall, this study suggested that the Autodock software provides a quick, and inexpensive way of evaluating potential drug efflux problem at the early stages of drug development.
format	Thesis
qualification_level	Bachelor degree
author	Mohd Halimi, Hazureen
author_facet	Mohd Halimi, Hazureen
author_sort	Mohd Halimi, Hazureen
title	Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
title_short	Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
title_full	Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
title_fullStr	Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
title_full_unstemmed	Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi
title_sort	docking of mouse p-glycoprotein (abcb1a/mdr3) with rhodamine b and vinblastine / hazureen mohd halimi
granting_institution	Universiti Teknologi MARA (UiTM)
granting_department	Faculty of Pharmacy
publishDate	2012
url	https://ir.uitm.edu.my/id/eprint/66678/1/66678.pdf
_version_	1783735630526676992

Docking of mouse p-glycoprotein (ABCB1a/MDR3) with Rhodamine B and Vinblastine / Hazureen Mohd Halimi

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