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Journal : ComEngApp : Computer Engineering and Applications Journal

Study of Molecular Docking of Chalcone Analoque Compound as Inhibitors for Liver Cancer Cells HepG2 Neni Frimayanti; Enda Mora; Rizki Anugrah
Computer Engineering and Applications Journal Vol 7 No 2 (2018)
Publisher : Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (644.903 KB) | DOI: 10.18495/comengapp.v7i2.260

Abstract

Molecular docking study using chalcone analogue compounds with proteins target from modeling crystallographic structure of Tyrosine kinase enzymes with code 1T46 was carried out with the aid of a computer using the AutoDock Vina program. The aim this study to determine the activity of 5 chalcone analogue compounds obtained from previous studies and 3 chalcone analogues which were modified as inhibitors of liver cancer using 5-fluorouracil as a positive control. Based on the docking results, it has been carried out and shown those compounds 1, 2, and 3 have the potential as the active inhibitors againts HepG2 liver cancer with a successive affinity of -10.1 kcal/mol, -9.7 kcal/mol, and - 9.6 kcal/mol, respectively. For the modified chalcone analogue compounds, compound 8 has the best results with an affinity value of -8.3 kcal/mol and this compound also has six amino acid residues which are the same as 5-flourouracyl (i.e. positive control).
Co-Authors 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 agistia, nesa Agustini, Tiara Tri Alifah Nurul Khusnah Amrina Rossada Septilapani Anfasa Mashudi, Fristio Anggraeni, Ica Winanda Anita Lukman Annisa Yuri Amalia Armon Fernando Bella Parina, Ana BENNI ISKANDAR Daniel Sialagan Dea Dwi Putri Della Vasmawati Denisya amanda Difa, Faradini Ramsanjami Efendi, Apriyani Eka Marisa Putri Elsa Etavianti Elsa Natia Elvi Khairani, Mai Elviyenti, Elviyenti Emma Susanti Enda Mora Etavianti, Elsa Fadiyah Yueflen Fatmalia, Anggun Ferdy Firmansya Ferdy Firmansyah Fharisti Kirana Fikri Maulana Fikri Maulana, Fikri Fina Aryani, Fina Fri Murdiya, Fri Furi, Mustika Guntur Guntur Haiyul Fadhli Hamzah, Hasyrul Haryeni Sastra Anggraini Hendra, Rudi Herfindo, Nofal Herfindo, Noval Hery Widijanto Hilwan Y. Teruna Hilwan Yuda Teruna Husnawati Husnawati Ihsan Ikhtiarudin Ikhtiaruddin, Ihsan Irfan Maulana Iriani, Revy Jasril Jasril Kiranti Azlin Kolista Sisilawati Kurniawan Putri, Nurafika Lala Azela Larasati Arsad Livia Nathania Mazaya Putri Anabesi Meiriza Djohari, Meiriza Melzi Octaviani Meri Ernilawati Meridona Mira Febrina Monica Rifa Putri Muharani, Siska Muhtadi, Wildan Khairi Mulia Rizki Musyirna Rahmah Nasution Mutiara Salsabillah Muttaqin, Fauzan Zein Nadea Zahra Ramadhani Nadila Putri Nahdiah Nahdiah Nahdiah Nahdiah, Nahdiah Nasution, Musyirna Rahmah Nelly Oscifiani Nelly Oscifiani Ningsih, Yozi Fiedya Nisa Novrianti Nofriyanti Nova Tantri Silalahi Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Noval Herfindo Nurul fadillah, Nurul Nurul Susianti Oscifiani, Nelly Panjaitan, Pretty Farida Putri Rizki Rahmadani Qurnia Pratiwi, Putri R. Rizatita Fitriani Rabiatul Adawiyah Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Rahayu Utami Rahma Dona Raja adli husin Ramanda safitri Ricardo, Nadira Atiqah Rickha Octavia Rindiyani Rindiyani Riska Prasetiawati Rizda Fitriani Rizki Anugrah Rodhia Ulfa Rohim, Muhammad Rosnita Dewi Rahmawati Rossi Passarella Ruska, Shinta Liana Rusnedy, Rahmayati Salsabila alhamdania Balqis Salsabila Zahirah Ananda Salsabila, Aulia Sari, Rinita Sari, Seftika Selvi Aulia Wibowo Shafira Melsonia Silalahi, Nova Tantri Siregar, Lisa Andriyani Sitanggang, Sarah Dianora Tabah Solihin Teguh Utama Tria Harlianti Vella kurnia Wahyuni Veza Azteria viola Afrilizetira, Garnis Wahyuni, Dilla Widya Ari Sandi Winda Yusma Ameliah Wulandari, Zertiks Yasthophi, Arif Yuli Haryani Yum Eryanti Yum Eryanti Yum Eryanti Yuni Fatisa Zafarani, Welly