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Fri Murdiya, Fri
Universitas Riau
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Journal : ICON-CSE

 1 
Molecular Docking on Azepine Derivatives as Potential Inhibitors for H1N1-A Computational Approach Neni Frimayanti; Fri Murdiya; rossi passarella
ICON-CSE Vol 1, No 1 (2014)
Publisher : ICON-CSE

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Abstract

Azepine are an important class of organic compounds. They are effective in a wide range of biological activity such as antifeedants, antidepressants, CNS stimulants, calcium channel blocker, antimicrobial and antifungal properties. In our continue efforts to search for a potent inhibitor for H1N1 virus using molecular docking. In this study, 15 azepine (ligands) derivatives were docked to the neuraminidase of A/Breving Mission/1/1918 H1N1 strain in complex with zanamivir (protein). The Cdocker energy was then calculated for these complexes (protein-ligand). Based on the calculation, the lowest Cdocker interaction energy was selected and potential inhibitors can be identified. Compounds MA4, MA7, MA8, MA10, MA11 and MA12 with promising Cdocker energy was expected to be very effective against the neuraminidase H1N1.
Co-Authors Abdul Rasyid Adetya, Reza Akbar, Muhammad Alif Aldi, Robi Alfatlian, Alfatlian Ali, Nurhalim Dani Altarawneh, Mohammednoor Amir Hamzah Amir Hamzah Amun Amri Anhar Antonius Rajagukguk Ari Sandhyavitri Assylzhan, Mazhibayev Azriyenni Azhari Zakri Bella Novita Dona Cecep Zaenal Mutaqin Cecilia Stevany Chandra, Andre David Andrio Devita Amalia Dian Yayan Sukma, Dian Yayan Dzaki Furqoon Ery Safrianti Faisal Setiawan Febrizal Ujang Feranita Feranita Firdaus Firdaus Firdaus Firdaus Firdaus Firdaus Sutan Ginting, Rio Abraham Hamdani, Eddy Harahap, Muhammad Nasir Hardani, Nanda Hardiwika, Ericko Hariadi, Rofi Havel Alindo Sano Havel Alindo Sano Heni Pujiastuti Hotdin Peterson A I Gusti Bagus Wiksuana Jumbri, Khairulazhar Liho Dachanri Doly Linna Oktaviana Sari Luchman Wira Admaja M Javad Faruqi Mangapul, Toni Maradongan, Maradongan Mawaddah Mawaddah, Mawaddah Meliana Meliana Michael Anderson Muhammad Rafi Epafras nadeak, Parade Neni Frimayanti Noveri Lysbetti M Noviansyah Noviansyah Novri Andrean Nurhalim Nurhalim Dani Ali Nurhalim Nurhalim Oky Kurniawan Panjaitan, Handerson Pardede, Tumpal Pedia Aldy Prasetyo, Yansyah Putra, Rizky Andi Rahman, M Mahbubur Ramadhan, Dhoifullah Rendy Kamerlisa Putra Riski Febriyursandi Rizal, Ghane Sha Rofi Hariadi Rosma, Iswadi Hasyim Rossi Passarella Rudi Setiawan Sano, Havel Alindo Saputra , Ivan Shifa Rayni Efendi Stevanny, Cecillia Stevany, Cecilia Sulistianto, Agus Ernawan Sulistyo Saputro Sunarno Sunarno Suwitno Suwitno Suwitno, Suwitno Suwitno1, Suwitno Tommy Adrian Sinaga Tommy Rizky Krisnadi Yan Habibillah Pesa Yang, Chun-Chen Yansyah Prasetyo Yusnita Rahayu