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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 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