Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues
Enzim RNA-bergantung RNA polimerase adalah sasaran dadah yang menarik untuk mengubati jangkitan denggi. Analog nukleosida menyerupai substrat asal enzim polimerase. Ia bertindak sebagai perencat atau substrat kepada enzim ini lalu menyebabkan penamatan pramatang bebenang DNA/RNA atau penghasilan D...
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| Format: | Article |
| Language: | Malay English English |
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Faculty of Science and Technology, Universiti Kebangsaan Malaysia
2018
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| Online Access: | http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/13/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi.pdf http://irep.iium.edu.my/74946/15/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20SCOPUS.pdf http://irep.iium.edu.my/74946/14/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20WOS.pdf |
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iium-74946 |
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eprints |
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iium-749462019-11-24T16:02:34Z http://irep.iium.edu.my/74946/ Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues Abdullah, Nor Nadirah Rullah, Kamal Wai, Lam Kok Jasamai, Marlina RS403 Materia Medica-Pharmaceutical Chemistry Enzim RNA-bergantung RNA polimerase adalah sasaran dadah yang menarik untuk mengubati jangkitan denggi. Analog nukleosida menyerupai substrat asal enzim polimerase. Ia bertindak sebagai perencat atau substrat kepada enzim ini lalu menyebabkan penamatan pramatang bebenang DNA/RNA atau penghasilan DNA/RNA yang rosak. Ini akan menghentikan proses replikasi virus. Kajian dok molekul untuk mengenal pasti interaksi molekular antara enzim dan ligannya telah dilakukan berdasarkan maklumat yang diperoleh berkenaan struktur kristal domain RdRp. Tapak pengikat-ligan domain RdRp yang terdiri daripada sisa asid amino Asn492, Asn405, Lys401, Thr605 dan Gly601 telah dikenal pasti setelah pengedokan analog nukleosida yang boleh didapati secara komersial dijalankan. Pengedokan analog nukleosida yang menyerupai substrat asal RdRp ke dalam tapak pengikat menunjukkan mod pengikat-ligan dengan ikatan hidrogen, aromatik-π dan interaksi cas adalah interaksi utama yang terlibat. Kajian ini juga memberi maklumat berkenaan farmakofor analog nukleosida yang boleh digunakan dalam reka-bentuk dadah berasaskan struktur terhadap sasaran penting ini. *************************************************************************************************************************** RNA-dependent RNA polymerase (RdRp) enzyme is an attractive drug target to treat dengue infection. Nucleoside analogues are mimics of natural substrates for polymerase enzymes. They act as inhibitors or substrates for these enzymes resulted in the premature termination of the DNA/RNA strands or formation of faulty DNA/RNA strands. This will halt the virus replication process. Based on the published crystal structure of RdRp domain, docking study to identify molecular interactions between the enzyme and its ligands were performed. Docking of the commercially available nucleoside analogues identified the ligand-binding pocket of the RdRp domain encompasses of Asn492, Asn405, Lys401, Thr605 and Gly601 amino acid residues. Docking of the nucleoside analogues, mimics of the natural substrate for RdRp into this pocket showed the ligand-binding mode, in which hydrogen bonding, π-aromatic and charge interactions are the main forces involved. This study also showed the pharmacophore of the nucleoside analogues which will be useful in structure-based drug design against this important target. Faculty of Science and Technology, Universiti Kebangsaan Malaysia 2018 Article PeerReviewed application/pdf ms http://irep.iium.edu.my/74946/13/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi.pdf application/pdf en http://irep.iium.edu.my/74946/15/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20SCOPUS.pdf application/pdf en http://irep.iium.edu.my/74946/14/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20WOS.pdf Abdullah, Nor Nadirah and Rullah, Kamal and Wai, Lam Kok and Jasamai, Marlina (2018) Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues. Sains Malaysiana, 47 (3). pp. 517-522. ISSN 0126-6039 http://www.ukm.my/jsm/pdf_files/SM-PDF-47-3-2018/11%20Nor%20Nadirah%20Abdullah.pdf 10.17576/jsm-2018-4703-11 |
| repository_type |
Digital Repository |
| institution_category |
Local University |
| institution |
International Islamic University Malaysia |
| building |
IIUM Repository |
| collection |
Online Access |
| language |
Malay English English |
| topic |
RS403 Materia Medica-Pharmaceutical Chemistry |
| spellingShingle |
RS403 Materia Medica-Pharmaceutical Chemistry Abdullah, Nor Nadirah Rullah, Kamal Wai, Lam Kok Jasamai, Marlina Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| description |
Enzim RNA-bergantung RNA polimerase adalah sasaran dadah yang menarik untuk mengubati jangkitan denggi. Analog
nukleosida menyerupai substrat asal enzim polimerase. Ia bertindak sebagai perencat atau substrat kepada enzim ini lalu
menyebabkan penamatan pramatang bebenang DNA/RNA atau penghasilan DNA/RNA yang rosak. Ini akan menghentikan
proses replikasi virus. Kajian dok molekul untuk mengenal pasti interaksi molekular antara enzim dan ligannya telah
dilakukan berdasarkan maklumat yang diperoleh berkenaan struktur kristal domain RdRp. Tapak pengikat-ligan domain
RdRp yang terdiri daripada sisa asid amino Asn492, Asn405, Lys401, Thr605 dan Gly601 telah dikenal pasti setelah
pengedokan analog nukleosida yang boleh didapati secara komersial dijalankan. Pengedokan analog nukleosida yang
menyerupai substrat asal RdRp ke dalam tapak pengikat menunjukkan mod pengikat-ligan dengan ikatan hidrogen,
aromatik-π dan interaksi cas adalah interaksi utama yang terlibat. Kajian ini juga memberi maklumat berkenaan
farmakofor analog nukleosida yang boleh digunakan dalam reka-bentuk dadah berasaskan struktur terhadap sasaran
penting ini.
***************************************************************************************************************************
RNA-dependent RNA polymerase (RdRp) enzyme is an attractive drug target to treat dengue infection. Nucleoside analogues are mimics of natural substrates for polymerase enzymes. They act as inhibitors or substrates for these enzymes resulted in the premature termination of the DNA/RNA strands or formation of faulty DNA/RNA strands. This will halt the virus replication process. Based on the published crystal structure of RdRp domain, docking study to identify molecular interactions between the enzyme and its ligands were performed. Docking of the commercially available nucleoside analogues identified the ligand-binding pocket of the RdRp domain encompasses of Asn492, Asn405, Lys401, Thr605 and Gly601 amino acid residues. Docking of the nucleoside analogues, mimics of the natural substrate for RdRp into this pocket showed the ligand-binding mode, in which hydrogen bonding, π-aromatic and charge interactions are the main forces involved. This study also showed the pharmacophore of the nucleoside analogues which will be useful in structure-based drug design against this important target. |
| format |
Article |
| author |
Abdullah, Nor Nadirah Rullah, Kamal Wai, Lam Kok Jasamai, Marlina |
| author_facet |
Abdullah, Nor Nadirah Rullah, Kamal Wai, Lam Kok Jasamai, Marlina |
| author_sort |
Abdullah, Nor Nadirah |
| title |
Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| title_short |
Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| title_full |
Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| title_fullStr |
Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| title_full_unstemmed |
Kajian dok molekul mengenai interaksi antara RNA-bergantung RNA polimerase virus denggi dan analog nukleosida = Molecular docking study of the interactions between dengue virus RNA-dependent-RNA polymerase and nucleoside analogues |
| title_sort |
kajian dok molekul mengenai interaksi antara rna-bergantung rna polimerase virus denggi dan analog nukleosida = molecular docking study of the interactions between dengue virus rna-dependent-rna polymerase and nucleoside analogues |
| publisher |
Faculty of Science and Technology, Universiti Kebangsaan Malaysia |
| publishDate |
2018 |
| url |
http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/ http://irep.iium.edu.my/74946/13/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi.pdf http://irep.iium.edu.my/74946/15/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20SCOPUS.pdf http://irep.iium.edu.my/74946/14/74946%20Kajian%20Dok%20Molekul%20Mengenai%20Interaksi%20WOS.pdf |
| first_indexed |
2023-09-18T21:46:04Z |
| last_indexed |
2023-09-18T21:46:04Z |
| _version_ |
1777413457612636160 |