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All Journal snimed Indonesian Journal of Pharmaceutical Science and Technology Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) Majalah Obat Tradisional INDONESIAN JOURNAL OF PHARMACY Jurnal Farmasi Sains dan Komunitas Indonesian Journal of Chemistry Indonesian Journal of Pharmacology and Therapy
Maywan Hariono
Faculty Of Pharmacy, Sanata Dharma University
Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Health Professions Immunology & microbiology Medicine & Pharmacology Public Health

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Journal : INDONESIAN JOURNAL OF PHARMACY

 1 
Computer-aided Design of Chalcone Derivatives as Lead Compounds Targeting Acetylcholinesterase Riswanto, Florentinus D. Octa; Hariono, Maywan; Yuliani, Sri Hartati; Istyastono, Enade Perdana
INDONESIAN JOURNAL OF PHARMACY Vol 28 No 2, 2017
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (897.108 KB) | DOI: 10.14499/indonesianjpharm28iss2pp100

Abstract

One of well-established biological activities for chalcone derivatives is as acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer’s disease. Assisted byretrospectively validated structure-based virtual screening (SBVS) protocol to identify potent acetylcholinesterase inhibitors, 80chalcone derivatives were designed and virtually screened. The F-measure value as the parameter of the predictive ability of the SBVS protocol developed in the research presented in this article was 0.413, which was considerably better than the original SBVS protocol (F-measure = 0.226). Among the screened chalcone derivatives two were selected as potential lead compounds to designpotent inhibitors for acetylcholinesterase: 3-[4-(benzyloxy)-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one(3k) and 3-[4-(benzyloxy)-3-methoxyphenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one (4k).
Co-Authors Agus Suprijono Benedictus Wisnu Putra Jati Dewi Setyaningsih Dina Christin Ayuning Putri Dwi Hadi Setya Palupi Enade Perdana Istyastono Enade Perdana Istyastono Ervan Setyo Nugroho Florentinus Dika Octa Riswanto Hanievia Rahayunnissa Hanny Setyowati Jasson Rhinehard Karamoy Jeffry Julianus Jumina Jumina Jumina Kevin Cahaya Putra Mustofa Mustofa Mustofa Nico Frederick Nico Frederick Pandu Hariyono Phebe Hendra Phebe Hendra Reynaldo Tiara Rini Dwiastuti risha fillah fithria Rollando, Rollando Roy Gunawan Wicaksono Sangga Putra Dewa Satrio Ardyantoro Satrio Ardyantoro Sri Hartati Yuliani Wahyuning Setyani Yohanes Krisna Wisnumurti