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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 Achdar, Ridza Fitria Adel Zamri Adel Zamri Adel Zamri Adelina, Helmi Rahmah Adriani Susanty Afridho, Arif agistia, nesa Agustini, Tiara Tri Alpasiri, Ikhsan Mauludi Amanda Herlina Putri Aminuyati Andarini Diharmi Arfan Zasliadi Armon Fernando Briandy Gideon Sinaga Budi Suprapti Cahyani, Astri Deni Anggraini Desmariani - DEWI FITRIANI Dewi, Irana Dinda Monika Nusantara Ratri Elsa Natia Emma Susanti Emrizal Emrizal Enok Nurliawati Eranisa, Yenni Fadhila, Metha Fadhila, Qonita Nur fella eka putri Ferdy Firmansyah Fiedya, Yozi Fintolin Jaya Putri Furi, Mustika Haiyul Fadhli Harpirabi, T. Hasanah, Mitha Hendra, Rudi Hilwan Y. Teruna Hilwan Yuda Teruna Ihsan Ikhtiarudin Ikhwanul Ghufran Nurum Irza Amellia Jasma, Jasma Jumiati Jumiati Karismawati, Karismawati Kuang, Liau Che Ladiona, Maria Yella Leni Lidya Syapitri Lestari, Rahyu Linda, Rosa Lismarianti, Lismarianti M Almurdani Mareta Rindang Andarsari Maria Yella Ladiona Maulani, Annissa Meiriza Djohari, Meiriza Melisa, Eva Mella Silfia Andriani Mery Sukmiwati Mira Febrina Musyirna Rahma Nst Musyirna Rahmah Nasution Nandhana Selpas Neni Frimayanti Nofriyanti Noval Herfindo Pratiwi, Indah Denni Pratiwi, Wirahma Indah Putri Rizki Rahmadani Putri, Bayzola Ditya Putri, Widia Rahma R.R. Endang Lukitaningsih Rabiatul Adawiyah Rahayu Utami Rahayu Utami Rahayu, Yaza Sri Rahim, Fatma Rahma Dona Ramayani Rasyid, Wildan Ratna Sari Dewi Rindiyani Rindiyani Rindu Septia Zaribhi Ritonga, Fany Devita Rizki Anugrah Romadhon, Laili Rosnita Dewi Rahmawati Rustam, Muhanifa Salsabilla, Fadia Rahma Sari, Annisa Rahmida Septi Muharini Shafira Melsonia Shelvy Nurhaliza Harianda Sinaga, Giacinta Gracesandy Sisca, Sari Kurnia Siti Adinda Nasyfa Siti Muzdalifah Sukma, Sukma Tami, Tami Tania, Berla Ulfa, Rodhia Vella kurnia Wahyuni Wahyi Maghfirah Wira Noviana Suhery Yunita Az Zuhrah Yuti, Denisyah Fitri