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All Journal Techno: Jurnal Penelitian
Muliadi Muliadi
Pendidikan Kimia Universitas Khairun (SCOPUS ID: 56826006800, H-Index 2)
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Civil Engineering, Building, Construction & Architecture

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Computational Chemistry: QSAR of Dental Disease Causing Streptococcus mutans Using Eugenol Derivative Compounds from Clove Essential Oil Muliadi Muliadi; Topan Setiawan; Ike Dwi Setiani; Nur Asbirayani Limatahu; Deasy Liestianty
TECHNO: JURNAL PENELITIAN Vol 12, No 1 (2023): TECHNO JURNAL PENELITIAN
Publisher : Universitas Khairun

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33387/tjp.v12i1.5793

Abstract

Research on the activity of eugenol derived compounds as antimicrobials using the qualitative structure-activity relationship (QSAR) model has been conducted. Molecular structure modeling was executed computationally using the ChemDraw Ultra 12.0 program package. Geometry optimization was performed using AM1 semi-empirical method to stabilize structure with the least energy level. Calculations of hydrophobic, electronic, and steric descriptors were done using Gaussian-09 and Marvin Sketch 64 softwares. Statistical calculations was conducted through multiple linear regression method using the IBM SPSS 25 program. Statistical analysis was carried out based on the statistical requirements of several equation models so that the best equation model was obtained. The analysis with the QSAR equation model obtained that the model 1 equation presented the best results.
Co-Authors Ike Dwi Setiani Liestianty, Deasy Nur Asbirayani Limatahu Setiawan, Topan