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Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar

Four Ganoderic acids (á, B, C1 H) were studied using molecular docking approach. Both reverse molecular docking and molecular docking were combined to elucidate suitable target(s) for these Ganoderic acids. Outcomes from molecular docking were compared and correlated to experimental data. Compoun...

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Main Author: Akbar, Rahmad
Format: Thesis
Published: 2011
Subjects:
Q Science (General)
QH301 Biology
Online Access:http://studentsrepo.um.edu.my/3528/4/Title_page%2C_abstract%2C_table_of_contents.pdf
http://studentsrepo.um.edu.my/3528/5/Full_chapters.pdf
http://studentsrepo.um.edu.my/3528/6/References.pdf
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spelling my.um.stud.35282013-09-12T08:34:04Z Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar Akbar, Rahmad Q Science (General) QH301 Biology Four Ganoderic acids (á, B, C1 H) were studied using molecular docking approach. Both reverse molecular docking and molecular docking were combined to elucidate suitable target(s) for these Ganoderic acids. Outcomes from molecular docking were compared and correlated to experimental data. Compound with the best performance in both molecular docking and correlation analysis were further studied by looking at its molecular interaction with potential target. 1HVR (a type of HIV-1 protease) and Ganoderic acid B performed better in cluster analysis of molecular docking compared to other compounds. Similar ÄG trend to experimental data obtained from el-Mekkawy and co-workers (el-Mekkawy et al. 1998) were also observed. Molecular interaction study revealed Ganoderic acid B interactions with ILE50 and ILE50’ residues. These two residues has been identified as important residues and plays important roles in ligand-protein interaction in HIV-1protease (Lebon and Ledecq 2000). These interactions not only suggested HIV-1 protease in general is a suitable target for ganodericacid B, they also indicated a huge potential for HIV drug discovery based on this compound. 2011 Thesis NonPeerReviewed application/pdf http://studentsrepo.um.edu.my/3528/4/Title_page%2C_abstract%2C_table_of_contents.pdf application/pdf http://studentsrepo.um.edu.my/3528/5/Full_chapters.pdf application/pdf http://studentsrepo.um.edu.my/3528/6/References.pdf http://pendeta.um.edu.my/client/default/search/results?qu=Target+identification+of+HIV+related+ganoderic+acids+using+molecular+docking&te= Akbar, Rahmad (2011) Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar. Masters thesis, University of Malaya. http://studentsrepo.um.edu.my/3528/
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Student Repository
url_provider http://studentsrepo.um.edu.my/
topic Q Science (General)
QH301 Biology
spellingShingle Q Science (General)
QH301 Biology
Akbar, Rahmad
Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
description Four Ganoderic acids (á, B, C1 H) were studied using molecular docking approach. Both reverse molecular docking and molecular docking were combined to elucidate suitable target(s) for these Ganoderic acids. Outcomes from molecular docking were compared and correlated to experimental data. Compound with the best performance in both molecular docking and correlation analysis were further studied by looking at its molecular interaction with potential target. 1HVR (a type of HIV-1 protease) and Ganoderic acid B performed better in cluster analysis of molecular docking compared to other compounds. Similar ÄG trend to experimental data obtained from el-Mekkawy and co-workers (el-Mekkawy et al. 1998) were also observed. Molecular interaction study revealed Ganoderic acid B interactions with ILE50 and ILE50’ residues. These two residues has been identified as important residues and plays important roles in ligand-protein interaction in HIV-1protease (Lebon and Ledecq 2000). These interactions not only suggested HIV-1 protease in general is a suitable target for ganodericacid B, they also indicated a huge potential for HIV drug discovery based on this compound.
format Thesis
author Akbar, Rahmad
author_facet Akbar, Rahmad
author_sort Akbar, Rahmad
title Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
title_short Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
title_full Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
title_fullStr Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
title_full_unstemmed Target identification of HIV related ganoderic acids using molecular docking / Rahmad Akbar
title_sort target identification of hiv related ganoderic acids using molecular docking / rahmad akbar
publishDate 2011
url http://studentsrepo.um.edu.my/3528/4/Title_page%2C_abstract%2C_table_of_contents.pdf
http://studentsrepo.um.edu.my/3528/5/Full_chapters.pdf
http://studentsrepo.um.edu.my/3528/6/References.pdf
http://pendeta.um.edu.my/client/default/search/results?qu=Target+identification+of+HIV+related+ganoderic+acids+using+molecular+docking&te=
http://studentsrepo.um.edu.my/3528/
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score 13.211869

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