In Silico Studies and Admet Predictions Diterpenoid Compound Andrographis paniculata (Burm.f.) Nees as Inhibitor of Streptococcus mutans
DOI:
https://doi.org/10.51574/hayyan.v2i1.2679Keywords:
Sambiloto, In Silico, dental plaque, glukansucrase.Abstract
Andrographis paniculata (Burm.f.) Nees are reported to have many bioactivities, including antibacterial, hepatoprotective, antimalarial, antihypertensive, antipyretic, antithrombolytic, and other pharmacological effects. This study aims to determine the benefits of the active compound Andrographis paniculata in inhibiting the activity of the enzyme glucosyltransferase. This research method was carried out in silico on 3AIC receptors using Chimera, ChemDraw Ultra 12.0, MGLtools, Autodock4, Biovia Discovery Studio, and Toxtree software. The results showed that of the 12 test compounds, the AP11 compound has the lowest ∆G free bond energy of -8.5KKal/mol, lower than natural ligands, and more hydrogen bonds than natural ligands, MES. Therefore, it can be concluded that the AP11 compound has the most potential to inhibit glucosyltransferase receptors
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Maftucha, N., Manalu, R.T., Amelia, R., Cordia, P. & Bupu, R., 2022, Potensi Senyawa Turunan Xanton dari Kulit Buah Manggis (Garcinia mangostana L.) Sebagai Inhibitor Protein Mycobacterium tuberculosis: Studi In Silico’, Pharmaceutical Journal Of Indonesia, 2022(2), 123–128.
Maghfirah, F., Saputri, 2017, Aktivitas Pembentukan Biofilm Streptococcus Mutans dan Candida Albicans Setelah Dipapar Dengan Cigarette Smoke Condensate dan Minuman Probiotik, vol. 2.
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Rachfa, M.A.F., Putri, D.K.T. & Dewi, R.K., 2021, ‘Uji Kitosan Sisik Ikan Haruan (Channa Striata) Terhadap Aktivitas Glukosiltransferase Streptococcus mutans’, DENTIN, 2021(2), 87–86.
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10% Terhadap Penurunan Skor Plak, vol. 2.
Royani, J.I., Hardianto, D. & Wahyuni, S., 2014, ‘Analisa Kandungan Andrographolide Pada Tanaman Sambiloto (Andrographis Paniculata) Dari 12 Lokasi Di Pulau Jawa’, Jurnal Bioteknologi & Biosains Indonesia.
Syahputra, R., Utami, D., Widyaningsih, W., Dahlan, A., Soepomo, J., Janturan, S., 2022, Studi Docking Molekuler Aktivitas Penghambatan Enzim Tirosinase Ubi Jalar (Ipomoea batatas L. Lam) vol. 19.
Yasmin, R., Mafiroh, W.U., Kinasih, A., Ramadhani, A.N., Putri, R. & Semiarti, E., 2022, ‘Potential of Anti-Cancer and Antimicrobial in Orchid Based on Prediction of Activity Spectra for Substances (Pass) Online’, Journal of Agromedicine and Medical Sciences. 2022, 8(1), 25–33.
Zhang, Q., Ma, Q., Wang, Y., Wu, H. & Zou, J., 2021, Molecular mechanisms of inhibiting glucosyltransferases for biofilm formation in Streptococcus mutans, International Journal of Oral Science, 13(1).
