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Journal : BIOEDUSCIENCE

Bahasa Indonesia Yeni, Yeni; Supandi, Supandi; Khalishah, Yulianindra
BIOEDUSCIENCE Vol 2 No 1 (2018): BIOEDUSCIENCE
Publisher : Universitas Muhammadiyah Prof. Dr. Hamka

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (875.473 KB) | DOI: 10.29405/j.bes/2145-521355

Abstract

Coumarin derivative compounds show anti-blood coagulation activity, inhibits the action of enzymes, antimicrobial, antibiotics, and anti-cancer by interfering the synthesis of DNA / RNA. This study aims to obtain quantitative structure-activity relationship, coumarin derivatives against colon cancer receptors with Hänsch approach through multilinear analysis, able to make modifications compounds based on QSAR equation in an attempt to enlarge the potency and selectivity of drugs. Descriptors were selected to represent the electronic, hydrophobic and steric parameters. Molecular Docking done by using Autodock Vina to analyze the interaction within coumarin derivatives and the topoisomerase II enzyme. The results obtained QSAR equation has been validated by the method LOO (Leave One Out) is Log IC50 = -4.047+ (0496 x AM1_dipol) + (-0089 x AM1_HOMO) + (0899 x logP    (o / w)) + (0.903 x logs) + (0.351 x mr). The results showed IC50 prediction of modificated compounds(MOD2) with NO2 substituents have the best activity with the lowest ΔGbind -8.8 kcal / mol and has the smallest prediction IC50 1.0897 μM compared to IC50 lead compound (C14),  that is 1.77 μM.
Co-Authors AA Sudharmawan, AA Achmad Noerkhaerin Putra Adhikara, Armansyah Adhisty, Karolin Adia Putra Wirman Afriyani, Fauzia Afriyani, Fauziah aharani, Adelia Putri M Ahmad Haidar Mirza Akbar, Devin Ridho Alfiansyah, Erwin Ali, Fahri Amalia, Tasya Syawa Ambo Wonua Nusantara, Ambo Wonua Amelia, Rizma Zusica Andriana, Sari Sarce Anggreqani, Anis Anita Rahmiwati Annisa Putri Apriansyah, Agusti Aqila, Mu’Amar Zaki Assyffa, Lavita Aulia, Maurin Bambang Pamungkas Bernadeta Ritawati, Bernadeta Dani, Suci Rahma Darmaputera, Mohammad Kurniawan Daryono Hadi Tjahjono Daud, Damask Jordhi Davies, Sharyn Graham Deni Susanti, Deni Desheila Andarini, Desheila Desi Maulida Desti, Desti Destriansyah, Ridho Dewi Purnamasari Dewi Purnamasari, Endah Dialoka, Indah Diansyah, Irham Dwi Rahmat, Rizki Elfranata, Samuel Emilda, Emilda Endah Dewi Purnamasari Ervin Ervin Fadhilah Azkananda Fatmalina Febry Fatmoko, Adlim Dwi Febria, Dila Fenny Etrawati Feranita Utama Ferziana Ferziana, Ferziana Fiona Fiona, Fiona Fitri Cecilia Oktaviani Hadipryanto, Jati Hakim, Malik Halim, Hamid Halim, R.M. Nasrul Halin , Hamid Halin, Hamid Hamiranti, Rahmadyah Handra, Raisa Harahap, Indah Wahyuni Hardiyanto, Eko Hartati, Lesi Hermawan, Gede Satya HERU WAHYUDI Hotmaida, Linda I Wayan Sadyana Inoy Trisnaini Iwan Ramadhan Iwan Stia Budi Jepisah, Doni Joko Susilo Julianto, Irwan Dwi Julita, Riska Junaidi, Sabda Khafidhan, Abied Khalishah, Yulianindra Kurniawan DP, Mohammad Kusumayanti, Nurita Laurentina, Yoriko Lestari, Rahayu Tri Lestari, Rahma Dwi Lisa Erfa Maretalinia, Maretalinia Marlinda, Putri Maulana, Asri Maulana, Erie Maulida, Mutia Nadra Mecang, Heleri Kasidi Meilin Veronica Meliyani, Eka Mella Triana Mellazulfa, Dhea Sofiana Merdekawati, Fajar Mertika, Mertika Mirza, A. Haidar Mochamad Dicky Yanuar Mamba'ul Rohman Mohammad Wahed Mohammad Wahed, Mohammad Muh Febrianto Ello Saputra Muhammad Agus Hardiansyah Muhammad Firman Annur Muhammad Ilham Mutaqin, Zenal Najah, Miftahun Najmah, Najmah Natalia, Lidya Ngadiran, Antonius Ni Nengah Suartini, Ni Nengah Nining, Nining Noer, Namira Imelia Ramadiena Novrikasari Novrikasari, Novrikasari Nur Alam Fajar Nurdin Nurdin Nurfianto, Sigit Nurhayati, Anissa Nuryanti, Tutty Okianna Okianna Oktarina, Silvia Piura, Meila Puspa Prajaka, Nanang Wahyu Prameswari, Herfinda Pratiwi, Beliana Pratiwi, Nova Prautami, Erike Septa Priscilla, Priscilla Purnama Sari, Indah Purnomo, Riyan Putra, Kiki Pradana Putra, M Ridho Amirsyah Putra, Mgs. Prima Darma Putri Maretha, Wina Putri Sabila, Virgina Putri, Sekar Utami Putri, Syifa Hidayat Rachmad Suhanda Rahayu, Yusvita Rahhutami, Ratih Raida Kartina Ravinazan, Ravinazan Refani, Priska Restina, Restina Rianzah, M Fariz Dava Rico Januar Sitorus Rini Mutahar Ririn Padilah Ririt Iriani Sri Setiawati Rizka Novi Sesanti Rizky, Fitri Nur Rizqi Ramadhony, Rizqi Robi Setiawan Rosnawintang, Rosnawintang Rukijah, Siti Safitri, Betari Safitri, Nida Aulia Inka Sagita, Era Sanjayani, Tri Santy, Nurliana Saputri, Ririn Sembiring, Thyrister Nina Asarya Sherly, Safira Sinaga, Rafael Alfredo Sinaga, Saurmian Siti Aminah Siti Komariah Hildayanti, Siti Komariah Siti Sarah, Siti Sitilonga, Jernita Megawati Supandi Supandi Supandi Suriyanisa, Suriyanisa Susan Neni Triani Sutarti Sutarti Syathiri, Ahmad Tiara, Dede Tripermata, Lukita Utami, Adelyza Vallepy, Andini Veronica, Meilin Wahap, Zakaria Wahyu Prajaka, Nanang Widiastuti, Yuliati Wika Anrya Darma, Wika Anrya Winata, Winata Wulan Purnama Sari Yasir Hudzaifah Yohanes Bahari Yuarta, Ferina Agustia Yuriansyah Yuriansyah, Yuriansyah Zafitry, Herlin