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All Journal JURNAL KIMIA SAINS DAN APLIKASI
Muhammad Iqbal Shihab
Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University Jl. Prof. Soedarto, SH., Tembalang, Semarang
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

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Molecular Docking and Chemical Analysis of Alcohol Compounds (C16-C20) Bound to InhA Receptors as Mycobactericidal Candidates Muhammad Iqbal Shihab; Gita Syahputra
Jurnal Kimia Sains dan Aplikasi Vol 23, No 5 (2020): Volume 23 Issue 5 Year 2020
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (2759.409 KB) | DOI: 10.14710/jksa.23.5.135-141

Abstract

Tuberculosis (TB) is an infectious disease caused by a bacterium called Mycobacterium tuberculosis. TB infection spreads through the air and is more likely when using inappropriate disinfectants in medical and laboratory equipment related to TB research. Appropriate disinfectants used for laboratory equipment can reduce the risk of TB disease transmission. Alcohol compound is a common disinfectant with broad-spectrum activity against microbes, viruses, and fungi. Molecular Docking can be applied to support virtual receptor-ligand screening in finding the right mycobactericidal agent as a disinfectant candidate from the alcohol group. Based on docking analysis, octadecanol (C18) has potential as a mycobactericidal agent with InhA as its specific receptor. Gibbs (ΔG) free energy obtained by octadecanol (C18) and InhA is -4.9 kcal/mol.
Co-Authors Gita Syahputra