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Journal : ICON-CSE

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 Abdi Wira Septama Abdi Wira Septama Abdi Wira Septama Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel Zamri Adel zamri Adel Zamri Adel Zamri adli husin, Raja agistia, nesa Agustini, Tiara Tri alhamdania Balqis, Salsabila Alifah Nurul Khusnah Amanda, Denisya Amrina Rossada Septilapani Anabesi, Mazaya Putri Anfasa Mashudi, Fristio Anggraeni, Ica Winanda Anggraini, Haryeni Sastra Anita Lukman Antasya, Vaylia Armon Fernando Arsad, Larasati Aulia Wibowo, Selvi Azela, Lala Azlin, Kiranti Bella Parina, Ana BENNI ISKANDAR Daniel Sialagan Dea Dwi Putri Difa, Faradini Ramsanjami Efendi, Apriyani Eka Marisa Putri Elsa Etavianti Elsa Natia Elvi Khairani, Mai Elviyenti, Elviyenti Emma Susanti Enda Mora Etavianti, Elsa Fatmalia, Anggun Ferdy Firmansya Ferdy Firmansyah Fikri Maulana Fikri Maulana, Fikri Fina Aryani, Fina Fitriani, R. Rizatita Fitriani, Rizda Fri Murdiya, Fri Furi, Mustika Guntur Guntur Haiyul Fadhli Hamzah, Hasyrul Hendra, Rudi Herfindo, Nofal Herfindo, Noval Hery Widijanto Hilwan Y. Teruna Hilwan Yuda Teruna Husnawati Husnawati Ihsan Ikhtiarudin Ikhtiaruddin, Ihsan Irfan Maulana, Irfan Iriani, Revy Jasril , Jasril Jasril Jasril Kirana, Fharisti Kurniawan Putri, Nurafika Livia Nathania Meiriza Djohari, Meiriza Melzi Octaviani Meri Ernilawati Meridona Mira Febrina, Mira Muharani, Siska Muhtadi, Wildan Khairi Musyirna Rahmah Nasution Muttaqin, Fauzan Zein Nahdiah Nahdiah Nahdiah Nahdiah, Nahdiah Nasution, Musyirna Rahmah Nelly Oscifiani Nelly Oscifiani Ningsih, Yozi Fiedya Nofriyanti Nova Tantri Silalahi Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Novrianti, Nisa Nurul fadillah, Nurul Nurul Susianti Oscifiani, Nelly Panjaitan, Pretty Farida Peng-Wei, Ching Putri Rizki Rahmadani Putri, Monica Rifa Putri, Nadila Qurnia Pratiwi, Putri Rabiatul Adawiyah Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Utami Rahim, Fatma Rahma Dona Rahma Dona, Rahma Rahmah, Rizka I’zaa Ramadhani, Nadea Zahra Ricardo, Nadira Atiqah Rickha Octavia Rindiyani Rindiyani Riska Prasetiawati Rizki Anugrah Rizki, Mulia Rohim, Muhammad Rosnita Dewi Rahmawati Rossi Passarella Ruska, Shinta Liana Rusnedy, Rahmayati S.Farm., M.Farm., Apt, Sondang Khairani Safitri, Ramanda Salsabila, Aulia Salsabillah, Mutiara Sari, Rinita Shafira Melsonia Silalahi, Nova Tantri Siregar, Lisa Andriyani Sisilawati, Kolista Sitanggang, Sarah Dianora Solihin, Tabah Teguh Utama Tria Harlianti Ulfa, Rodhia Vasmawati, Della Vella kurnia Wahyuni Veza Azteria viola Afrilizetira, Garnis Wahyuni, Dilla Widya Ari Sandi Winda Yusma Ameliah Wulandari, Zertiks Yasthophi, Arif Yueflen, Fadiyah Yuli Haryani Yum Eryanti Yum Eryanti Yum Eryanti Yuni Fatisa Yuri Amalia, Annisa Zafarani, Welly Zahirah Ananda, Salsabila