Analisis In Silico : Aktivitas Senyawa Antibakteri dalam Zingiber aromaticum terhadap Salmonella typhi
Abstract
Typhoid fever is an acute infectious disease of the small intestine caused by the bacterium Salmonella typhi. The prevalence of typhoid fever in the world is 27 million cases per year and causes 200,000 deaths. In Indonesia, it is estimated that the incidence of typhus is 148.7 per 100,000 people per year. Treatment of typhoid fever using ciprofloxacin antibiotics still causes bacterial resistance so that the discovery of herbal ingredients as an alternative to typhoid fever drugs is still being developed. This study aims to look at the potential of the active compound Zingiber aromaticum in terms of physicochemical prediction, pharmacokinetics, binding affinity, and level of toxicity. Previous studies have proven that Zingiber aromaticum has the potential to inhibit Pseudomonas aeruginosa and Salmonella typhi bacteria. The method used is molecular docking between the active compounds Zingiber aromaticum to be compared with the control drug ciprofloxacin as a comparison. As a result, all active compounds of Zingiber aromaticum have potential as drug candidates because they fulfill the lipinski’s rule of five. Zerumbon has the best pharmacokinetic profile compared to ciprofloxacin. Compounds in class 4, 5 and 6 are relatively safer, not mutagenic and not toxic to the liver compared to ciprofloxacin. The compounds that have a better binding affinity value than ciprofloxacin are isokaempferide, (-)-beta-Sitosterol, afzelin, kaempferol 3-(3'-acetylrhamnoside), and 3-O-beta-D-Glucopyranosyl sequentially namely -8,1 kcal/mol, -9.0 kcal/mol, -9.4 kcal/mol, -9.3 kcal/mol and -9.3 kcal/mol. The most valid compounds compared to ciprofloxacin are (-)-beta-sitosterol with RMSD l.b 1.513 and RMSD u.b 2.169.
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Alba, S., Bakker, M.I., Hatta, M., Scheelbeek, P.F.D., Dwiyanti, R., Usman, R., Sultan, A.R., Sabir, M., Tandirogang, N., Amir, M., Yasir, Y., Pastoor, R., Beers, S.V., and Smits, H.L. (2016). Risk Factors of Typhoid Infection in the Indonesian Archipelago. PLoS One, 11(6), 1-14.
Batubara, I., Wahyuni, W.T., and Susanta, M. (2016). Antibacterial Activity of Zingiberaceae Leaves Essential Oils Against Streptococcus Mutans and Teeth-Biofilm Degradation. International Journal of Pharma and Bio Sciences, 7(4), 111-116.
Chander, S., Tang, C.R., Al-Maqtari, H.M., Jamalis, J., Penta, A., Hadda, T.B., Sirat, H.M., Zheng, Y.T., and Sankaranarayanan, M. (2017). Synthesis and Study of Anti - HIV - 1 RT Activity of 5 – benzoyl - 4-methyl - 1,3,4,5- tetrahydro - 2H - 1,5 - benzodiazepin - 2 - one Derivatives. Bioorganic Chemistry, 72(1), 74-79.
Fan, J., Fu, A., and Zhang, L. (2019). Progress in Molecular Docking. Quantitative Biology, 7(2), 83-89.
Faqih, K., Yahmin, dan Suharti. (2019). Skrining Turunan Flavonoid sebagai Kandidat Inhibitor Protease nsP2 dari Virus Chikungunya menggunakan Molecular Docking. JC-T (Journal Cis-Trans): Jurnal Kimia dan Terapannya, 3(1), 34-44.
Gu, J., Gui, Y., Chen, L., Yuan, G., Lu, H.Z., and Xu, X. (2013). Use of Natural Products as Chemical Library for Drug Discovery and Network Pharmacology. PLoS ONE, 8(4), 1-10.
Handayani, N., Wartono, W., dan Wijaya, N. (2012). Isolasi, Identifikasi Komponen dan Uji Aktivitas Antibakteri Minyak Atsiri Rimpang Lempuyang Wangi (Zingiber aromaticum Val.). Molekul, 7(2), 88-94.
Khaerunnisa, S., Suhartati, dan Awaluddin, R. (2020). Penelitian In Silico untuk Pemula. Surabaya: Airlangga University Press.
Kurniati, Y., Hernawati, D., dan Putra, R.R. (2022). Etnobotani Tanaman Pangan di Desa Cigedug Kabupaten Garut. SAINTIFIK: Jurnal Matematika, Sains, dan Pembelajarannya, 8(2), 151-158.
Levani, Y., dan Prastya, A.D. (2020). Demam Tifoid: Manifestasi Klinis, Pilihan Terapi dan Pandangan dalam Islam. Al-Iqra Medical Journal : Jurnal Berkala Ilmiah Kedokteran, 3(1), 10-16.
Lim, M. A., and Pranata, R. (2020). The Insidious Threat of Jamu and Unregulated Traditional Medicines in the Covid-19 Era. Diabetes & Metabolic Syndrome: Clinical Research and Reviews, 14(5), 895-896.
Listyani, T.A., Herowati, R., dan Djali, A.D. (2019). Analisis Docking Molekuler Senyawa Derivat Phthalimide sebagai Inhibitor Non-Nukleosida HIV-1 Reverse Transcriptase. Jurnal Farmasi Indonesia, 15(2), 123-134.
Marchello, C.S., Birkhold, M., and Crump, J.A. (2020). Complications and Mortality of Typhoid Fever: A Global Systematic Review and Meta-Analysis. Journal of Infection, 81(6), 902-910.
Masadeh, M.M., Alzoubi, K.H., Khabour, O.F., and Al-Azzam, S.I. (2015). Ciprofloxacin-Induced Antibacterial Activity Is Attenuated by Phosphodiesterase Inhibitors. Current Therapeutic Research, 77(1), 14-17.
Milligan, R., Paul, M., Richardson, M., and Neuberger, A. (2018). Vaccines for Preventing Typhoid Fever. Unchanged: Cochrane Database of Systematic Reviews.
Mutai, W.C., Muigai, A.W.T., Waiyaki, P., and Kariuki, S. (2018). Multi-Drug Resistant Salmonella enterica Serovar Typhi Isolates with Reduced Susceptibility to Ciprofloxacin in Kenya. BMC Microbiology, 18(1), 4-8.
Ningsih, I.Y. (2016). Studi Etnofarmasi Penggunaan Tumbuhan Obat oleh Suku Tengger di Kabupaten Lumajang dan Malang, Jawa Timur. Pharmacy, 13(1), 10-20.
Nur, A.V., Slamet, Rizqi, I.I., and Salsabila, S.F. (2022). Molecular Docking Metabolit Sekunder Buah Buas-Buas (Premna pubescens Blume) sebagai Antiinflamasi pada Aterosklerosis: Pendekatan In-Silico. INPHARNMED Journal, 6(2), 73-81.
Pires, D.E.V., Blundell, T.L., and Ascher, D.B. (2015). pkCSM : Predicting Small-Molecule Pharmacokinetic Properties Using Graph-Based Signatures. Jurnal of Medicinal Chemistry, 58(1), 4066-4072.
Prasetiawati, R., Suherman, M., Permana, B., dan Rahmawati. (2021). Molecular Docking Study of Anthocyanidin Compounds Against Epidermal Growth Factor Receptor (EGFR) as Anti-Lung Cancer. IJPST: Indonesian Journal of Pharmaceutical Science and Technology, 8(1), 8-20.
Raini, M. (2016). Antibiotik Golongan Fluorokuinolon: Manfaat dan Kerugian. Media Litbangkes, 26(3), 163-174.
Ruswanto. (2015). Molecular Docking Empat Turunan Isonicotinohydrazide pada Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA). Jurnal Kesehatan Bakti Tunas Husada, 13(1), 135-141.
Saputri, K.E., Fakhmi, N., Kusumaningtyas, E., Priyatama, D., dan Santoso, B. (2016). Docking Molekular Potensi Anti Diabetes Melitus Tipe 2 Turunan Zerumbon sebagai Inhibitor Aldosa Reduktase dengan Autodock-Vina. Chimica et Natura Acta, 4(1), 16-20.
Suherti, R., Rahma, A.S., and Trisnawaty. (2022). Overview of the Factors Affecting the Length of Treatmentfor Patients with Typhoid Fever in Children at Dr. Tadjuddin Chalid Hospital Makassar in 2018. Community Medicine & Education Journal, 3(2), 223-227.
Ugochukwu, A.I., Amu, O.C., and Nzegwu, M.A. (2013). Ileal Perforation Due to Typhoid Fever - Review of Operative Management and Outcome in an Urban Centre in Nigeria. International Journal of Surgery, 11(3), 218-222.
Wibisono, N., dan Martino, Y.A. (2023). Uji Aktivitas Antidiabetes Kulit Batang Pulai (Alstonia scholaris) melalui Studi In Silico dan Prediksi Profil Farmakokinetika. e-Jurnal Ilmiah Biosaintropis (Bioscience-Tropic), 8(2), 59-64.
Widyowati, R., and Agil, M. (2018). Chemical Constituents and Bioactivities of Several Indonesian Plants Typically Used in Jamu. Chemical and Pharmaceutical Bulletin, 66(5), 506-518.
World Health Organization. (2018). Monitoring Progress on Universal Health Coverage and the Health-related Sustainable Development Goals in the South-East Asia Region. Asia: World Health Organization.
Zaidi, M.B., Romero, M.A., Campos, F.D., Ruiz, J.C., Gonzalez, M.E., Piste, I. M., Magaña, C.P., and Gamboa, M. (2018). Typhoid Fever Outbreak with Severe Complication in Yucatan, Mexico. The Lancet Global Health, 6(10), 1062-1063.
DOI: https://doi.org/10.33394/bioscientist.v11i1.7636
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