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Journal : INDONESIAN JOURNAL OF PHARMACY

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).
The employment of UV-spectroscopy combined with multivariate calibration for analysis of paracetamol, Propyphenazone and caffeine Abdul Rohman; Arief Dzulfianto; Florentinus Dika Octa Riswanto
Indonesian Journal of Pharmacy Vol 28 No 4, 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 (982.054 KB) | DOI: 10.14499/indonesianjpharm28iss4pp191

Abstract

The reference method for simultaneous analysis of drugs is chromatography, however, this technique is expensive, complex, and needs excessive sample preparation; therefore, some simple methods like UV spectroscopy is proposed. Assisted with multivariate calibration, it is possible to analyze drugs using UV spectroscopy without prior separation. This study is intended to use UV spectroscopy coupled with multivariate calibration of partial least square (PLS) for simultaneous analysis of paracetamol (PCT), propyphenazone (PROPI), and caffeine (CAFF) in tablet dosage form. The calibration model is prepared by developing a series 20 mixture of PCT, PROPI and CAFF with certain composition randomly and its absorbance is measured at wavelength of 220-313 nm with an interval of 3 nm. The performance of calibration model was assessed by coefficient of determination (R2), root mean square error of calibration (RMSEC) and root mean square error of cross validation (RMSECV). The R2 values for the correlation between actual values of PCT, PROPI and CAFF and predicted values using UV-spectroscopy combined with PLS are 0.9994; 0.9878; and 0.9919, respectively. The calibration errors expressed with RMSEC are 0.027%, 0.082% and 0.043% for PCT, PROPI and CAFF, respectively. While, during cross validation using “leave one out” technique, RMSECV values obtained are 0.062%, 0.095% and 0.982%, respectively for PCT, PROPI and CAFF. The level of drugs obtained are 226.76 ± 14.49 mg/tablet (equivalent to 90.70% from labeled claim) for PCT,  135.74 ± 11.23 mg/tablet (equivalent to 90.49% from labeled claim) for PROPI and 51.69 ± 2.35 mg/tablet (equivalent to 103.38% from labeled claim) for CAFF.
Co-Authors Abdul Rohman Abdul Rohman Adelsiana Leda Adithya Guntur Agatha Kania Ugahari Dyatmika Agnes Margaretta Sihombing Agustina Setiawati Alni Desra Anandha Nabila Prjanaparamita Anastasia Bella Anastasia Melin Fitria Wulandari Angelina Kinsha Pandhita Ardine, Glory Ivana Arief Dzulfianto Arini Safti Sandrapitaloka Arya Pratama Nugraha Pede Bili, Juita Putrinda Bintari, Resita Widya Birgita Elsia Setiarini Bramantyo , Dominicus Adyatma Christofori Maria Ratna Rini Nastiti Corina Febrianti Isabel Darmawangzah, Muhammad Debby Yunita Debi Kristiananda Debi Kristiananda Desy Natalia Rambu Padji Mahemba Dewi Setyaningsih DEWI SETYANINGSIH Dina Christin Ayuning Putri Dita Maria Virginia Enade Perdana Istyastono Enade Perdana Istyastono Enade Perdana Istyastono Enade Perdana Istyastono Familia Putri Wulandari Faustina Evania Ngai Febrina Dameria Marbun Filisia Putri Rosari Florentina Yohana Ngelu Fransisca Wahyu Indriastuti Indriastuti Fransiska Revana Restiana Gani, Michael Raharja Giovanny Leonarda Indriastuti, Fransisca Wahyu Indriastuti Indriastuti, Fransisca Wahyu Indriastuti Irnawati Irnawati Jeanne Magistra Noverita Jeanne Magistra Noverita Jeffry Julianus Jihan, Rimatul Jullius Ivan Mahadhika Juvita Lisu Allo Juvita Lisu Allo Katharina Floransia Walburga Resmianto Katrina Imaculata Tema Pedha Khrisna Agung Cendekiawan Kinanti, Valentina Putri Embun Klemen Wahyu Kurniadi Krisantia, Herluin Sekar Kristina, Natalia Kurniadi, Klemen Wahyu Kurniadi, Klemen Wahyu Lintang Adelya Lusiana Lusiana Lusiana Lusiana Mahenu, Novia Indah Permatasari Putri Mahenu, Novia Indah Permatasari Putri Marchaban Marchaban Maria Aurelia Afila Tutonugi Maria Theresia Mawarni Mark, Julyus Jason Mase Mase Maywan Hariono Meissy, Angelina Michael Raharja Gani Monica Selena nafisah isnawati Ni Gusti Ayu Diantari Novia Indah Permatasari Putri Mahenu Noviayanti Chandra Padmadiayu, Hana Paulina Nadya Feranti Pebby Lorenza Petrus Damiani Tosan Aji Phebe Hendra, Phebe Pisga Chrisita Dewi Pramono, Zita Dhirani Prasetyo, Chrisologus Ivan Putri , Elsha Tiany Putri Natasya Br Siregar Radhita Tyastu Puteri Winengku Rajagukguk, ⁠Greysianita Rini Dwiastuti Rini Dwiastuti Rinjani Mustika Sari RR. Endang Lukitaningsih Santi , Nyoman Pradnya Yoni Meytri Setiarini, Birgita Elsia Setiarini, Birgita Elsia Shinta Mayasari Siallagan , Angela Meirella Sri Hartati Yuliani Sudibyo Martono Sudibyo Martono Susanti, Dhina Ayu Suwidjiyo Pramono Teresia Kiki Oktavianti Theodora Dominika Gadi Seran Theresia Helena Tokan Tiara, Carolina Titien Siwi Hartayu Valentino Thomas Vania Rambu Kaha Milla Ate Veronica Arien Widyarahma Veronica Arien Widyarahma Vinsensia Nalita Maharani Wahyuning Setyani Wira Waskitha, Stephanus Satria Wiranata, Bonifacius Ivan Wulandari, Familia Putri Wulandari, Familia Putri Yoanes Fransiskus Regis Widyo Utomo Yohana Manalu Yohana Maria Bina Zerlinda Clara Auw