JURNAL KIMIA SAINS DAN APLIKASI
Vol 23, No 5 (2020): Volume 23 Issue 5 Year 2020

Molecular Docking and Chemical Analysis of Alcohol Compounds (C16-C20) Bound to InhA Receptors as Mycobactericidal Candidates

Muhammad Iqbal Shihab (Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University Jl. Prof. Soedarto, SH., Tembalang, Semarang)
Gita Syahputra (Biotechnology Research Center, Indonesian Institute of Sciences Bogor)

Article Info

Publish Date
31 May 2020

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.

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Journal Info
JURNAL KIMIA SAINS DAN APLIKASI
Website

Abbrev

ksa

Publisher

Universitas Diponegoro

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

Description

urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of ...