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All Journal Jurnal Pendidikan dan Pembelajaran Kimia (JPPK) JURNAL PENELITIAN SAINTIKA Jurnal Pendidikan Kimia (JPKim) Pendas : Jurnah Ilmiah Pendidikan Dasar Jurnal Inovasi Pembelajaran Kimia (Journal Of Innovation in Chemistry Education) CHEDS: Journal of Chemistry, Education, and Science Makara Journal of Science
Marham Sitorus
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Medan State University
Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Education Environmental Science Materials Science & Nanotechnology Social Sciences Other

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Journal : Makara Journal of Science

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Modeling of Benzimidazole Derivatives as Antimalarial Agents using QSAR Analysis Hadanu, Ruslin; Sitorus, Marham
Makara Journal of Science Vol. 28, No. 3
Publisher : UI Scholars Hub

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Abstract

In this study, quantitative structure–activity relationship (QSAR) analysis was conducted on 20 homologous compounds of benzimidazole derivatives. The structures of the benzimidazole derivatives were optimized using the semiempirical Parameterized Model 3 method of HyperChem for Windows 8.0 to obtain 14 descriptors. Then, multiple linear regression (MLR) analysis was performed using the backward method. The results of the MLR analysis obtained four new QSAR equation models. Based on statistical criteria, model 1 was determined as the best QSAR equation model in predicting the theoretical IC50 values of the new benzimidazole derivatives. As many as 20 new compounds of benzimidazole derivatives were modeled, of which 13 new compounds (23, 24, 25, 26, 27, 28, 29, 30, 31, 37, 38, 39, and 40 compounds) were recommended for synthesis in the laboratory because these compounds of benzimidazole derivatives havethey theoretically had higher antimalarial activity than chloroquine
Co-Authors Ani Sutiani Bajoka Nainggolan Damanik, Nova Daulay, Rabiah Dewi Syafriani, Dewi Ginting, Elfrida Ida Duma Riris Iis Siti Jahro Junifa Layla Sihombing, Junifa Layla lespiani, ika Marpaung, Ester Muliana Putri, Salsabilla Ramlan Silaban Retno Dwi Suyanti Ruslin Hadanu Saragih, Innovayani Siahaan, Suria Bersinar Sitorus, Francisca T. A