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Supandi
Universitas PGRI Semarang
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Journal : BIOEDUSCIENCE

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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 Achmad Buchori Afiat Syahrul Amal Ag, Isjudarto Agnita Siska Pramasdyahsari, Agnita Siska Agung Apri Wijaya Agung Handayanto Agus Pramono Agus Rohermanto, Agus Almawati Situmorang, Almawati amalia fitri wulandai An-Nizhami, Avicenna Andi Priyolistiyanto Aprihatiyaning Tiyas AR, Shilvyanora Aries Tika Damayani Aries Tika Damayani, Aries Tika Arif Wibisono Aryo Andri Nugroho Aula Aulia Amiruddini Aurora Nur Aini Bambang Sumiyarso Cahyaningrum, Dwi Candra Kusuma Nurjanah Dani Nur Rosvitasari Della Ayu Saptana Dewi Novianti Dewi Wulandari Dhiar Agnes Pramudita Dika Kurnia Pradana Dina Prasetyowati Diyah Ayu Shinta Prabawati Dwita Sofiarum Dyah Intan Sukowati E. Nurlaelah Elsa Era Narwastu Erni Ambarwati Farida Nursyahidah Firda Tubagus Ismail, Firda Tubagus Fitri Andriyani Andriyani Fristania Alfrida Destyaningrum Gita Dian Pratiwi Hadary, Ferry Hadimi Hadimi, Hadimi Hanum Fajar Susanti Hasan Asari Heni Purwati Hilda Hilda Ida Dwijayanti Iin Purnamasari INDAH MUSTIKASARI Indah Mustikasari Indah Purnama Sari Intan Shih Mutiarawati Is Tekaeni Iskandar, Isna Fachrur Rozi Isna Shofa Ani Iva Khasanah Kartinah Kartinah, Kartinah Khalishah, Yulianindra Khoryanton, Ampala Kiswoyo Kiswoyo Kiswoyo, Kiswoyo Kusumaningrum, Farida Lailatul Farikhah Lailatul Farikhah, Lailatul Lalu Calvian Pramuditya Lestari, Pramulani Mulya Lilik Ariyanto Lola Yuliana Luluk Zakiyah Mahroza, Jonni Martina, Khoirun Nisa Dwi MAYA RINI RUBOWO, MAYA RINI Merdekawati, Fajar Muhammad Saifuddin Zuhri Muminu Muminu Nida Naufi Indriyani Nopi Rosdiana Noviana Dini Rahmawati Nur Alfiana Oetari Anggun Larasati, Oetari Anggun Ofa Suzanti Betha Padang Yanuar Pahriyani, Ani Pasubondo, Barno Joyo Pradana, Alamsah Ade Purnomo, Adhy Ranie, Annisa Ananda Rasiman Rasiman Ressa Fajriatuz Zahro Riana Ulfa Sadiah Rina Dwi Setyawati Rizal Syekhudin Rizka Fajriyati Rizky Arcinthya Rachmania Rofiq Suprayogo Roswanti Roswanti Sadiah, Riana Ulfa Septian Rizki Kurniawan Sugiyanti Sugiyanti Suparjo, Ita Yuliana Suraida Suraida Sutrisno Sutrisno Tashdiq Anwarulloh, Tashdiq Theodora Indrianti Wardani Theodora Indriati Wardani Tina Martina, Tina Tresnawardhani, Annisa Tri Widyastuti Turmudi Ulya, Linda Mazroatul Untari Bekti Utami Veryliana Purnamasari Wahyu Kurniawati Whisnu Andika Wicaksono Wibisono, Makarim Widya Aulia Ashari Widya Kusumaningsih Widya Kusumaningsih Widya Kusumaningsih Wijonarko Wijonarko yatimah, Dhurotul Yeni Yeni Yeni, Yeni Yuyun Meinalufi Zilhadia Zilhadia