Email this article Studi In Silico Kandungan Senyawa Daun Srikaya (Annona squamosa L.)Terhadap Protein Dihydrofolate Reductase Pada Mycobacterium tuberculosis
Nur Cholis Endriyatno(1*), Muhammad Walid(2)(1) Universitas Pekalongan
(2) Universitas Pekalongan
(*) Corresponding Author
Abstract
Tuberculosis is caused by the Mycobacterium tuberculosis. Tuberculosis is one of the problems in the world, especially the problem of resistance which requires the search for new alternative drugs, one of which is from natural compounds.In silico studies with molecular docking method can be used as a preliminary test to assess the potency of a natural compound. In this study, the target proteins were Dihydrofolate Reductase: 4KL9 and 4KM2 with the original P33 and ATR ligands on Mycobacterium tuberculosis. Dihydrofolate reductase is a protein that has an important role in nucleotide biosynthesis, and has become a target for antibacterial drugs. The natural compounds tested were anonaine, asimilobine, and corypalmine contained in soursop leaves. The molecular docking results showed that the three compounds had docking score, especially for the 4KL9 target protein, which was lower than the original ligand. A lower value means that the binding of the ligand and target protein is stronger than that of the native ligand. The three compound ligands on the target protein 4KM2 have a higher docking score than the original ligand, meaning that the binding of the three ligands is not as strong as the original ligand, but the values are not far apart. In addition, there are similar residues involved from the original ligand and the ligands of the three compounds to the target protein. Therefore, it can be concluded based on an in silico study of the content of anonaine, asimilobine, and corypalmine compounds that may have antituberculosis activity.
Keywords
Full Text:
PDFReferences
Ali M.T., Blicharska N., Shilpi J.A. and Seidel V., 2018, Investigation of The Anti-TB Potential Of Selected Propolis Constituents Using A Molecular Docking Approach, Scientific Reports, 8 (1), 1–8.
Aragaw W.W., Lee B.M., Yang X., Zimmerman M.D., Gengenbacher M., Dartois V., Chui W.K., Jackson C.J. and Dick T., 2021, Potency Boost of a Mycobacterium Tuberculosis Dihydrofolate Reductase Inhibitor By Multienzyme F420H2-Dependent Reduction, Proceedings of the National Academy of Sciences of the United States of America, 118 (25), 1–10.
Dias M.V.B., Tyrakis P., Domingues R.R., Leme A.F.P. and Blundell T.L., 2014, Mycobacterium Tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and A Possible Low Affinity Mechanism to Antifolate Drugs, Structure, 22 (1), 94–103. Terdapat di: http://dx.doi.org/10.1016/j.str.2013.09.022.
Endriyatno N.C. and Santoso B., 2018, Hasil Komputasi Vina untuk Kandungan Bawang Putih dan Adas Bintang Terhadap Protein Dehidrogenase Piruvat Mycobacterium tuberculosis, The 7th University Research Colloqium 2018
Farid M., Pratama Y., Abidi S.R., Firdaus K.A., Aulia A.F. and Santoso B., 2016, Kajian Docking Molekular Pada Binding Site Pocket Dari Flavopiridol Dalam Menghambat Glikogen Fosforilase Menggunakan Pyrx-Autodock-Vina, The 4th Univesity Research Coloquium 2016, 154–158.
Hajian B., Scocchera E., Shoen C., Krucinska J., Viswanathan K., G-Dayanandan N., Erlandsen H., Estrada A., Mikušová K., Korduláková J., Cynamon M. and Wright D., 2019, Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents, Cell Chemical Biology, 26 (6), 781-791.e6.
Kolina J., Sumiwi S.A. and Levita J., 2018, Mode Ikatan Metabolit Sekunder Di Tanaman Akar Kuning (Arcangelisia flava L.) Dengan Nitrat Oksida Sintase, FITOFARMAKA: Jurnal Ilmiah Farmasi, 8 (1), 45–52.
Kristini T. and Hamidah R., 2020, Potensi Penularan Tuberculosis Paru pada Anggota Keluarga Penderita, Jurnal Kesehatan Masyarakat Indonesia, 15 (1), 24.
Maulidia N.R., 2021, Docking Oligomer Heparin 2S dan 2SNS dengan Konformasi Iduronat 2S0 pada Komplek Reseptor FGFR1- FGF2 sebagai Antikanker,. Univesitas Islam Negeri Maulana Malik Ibrahim Malang.
Nugraha A.S., Damayanti Y.D., Wangchuk P. and Keller P.A., 2019, Anti-Infective and Anti-Cancer Properties of the Annona Species: Their Ethnomedicinal Uses, Alkaloid Diversity, and Pharmacological Activities, Molecules
Pai M., Behr M.A., Dowdy D., Dheda K., Divangahi M., Boehme C.C., Ginsberg A., Swaminathan S., Spigelman M., Getahun H., Menzies D. and Raviglione M., 2016, Tuberculosis, Nature Reviews Disease Primers, 2 (October)
Pangestika R., Fadli R.K. and Alnur R.D., 2019, Edukasi Pencegahan Penularan Penyakit Tb melalui Kontak Serumah, Jurnal SOLMA, 8 (2), 229.
Pinto N.C.C., Silva J.B., Menegati L.M., Guedes M.C.M.R., Marques L.B., da Silva T.P., de Melo R.C.N., de Souza-Fagundes E.M., Salvador M.J., Scio E. and Fabri R.L., 2017, Cytotoxicity and bacterial membrane destabilization induced by Annona squamosa L. Extracts, Anais da Academia Brasileira de Ciencias, 89 (3), 2053–2073.
Porwal M. and K S.K.S.P., 2013, Estimation and Evaluation of Brain Biogenic Amines for Anticonvulsant Activity of Annona Squamosa Linn . Leaves in Mice, Asian Journal of Pharmaceutical Research and Development, 1 (2), 4850.
Porwal M. and Kumar A., 2015, Neuroprotective effect of Annona squamosa & (-) Anonaine in decreased GABA receptor of epileptic rats, Journal of Applied Pharmaceutical Science, 5 (1), 18–23.
Rahman A. and Santoso B., 2018, Virtual Docking Kandungan Senyawa Daun Sangketan ( Achyranthes aspera ) dan Adas Bintang ( Anisi Stellati Fructus ) terhadap Protein dihydrofolate reductase, The 7th university research Colloqium 2018, 1–8.
Santoso B., 2017, Pengaruh Volume Gridbox pada Docking Senyawa dalam Stelechocarpus Pengaruh Volume Gridbox pada Docking Senyawa dalam Stelechocarpus burahol terhadap Protein Homolog antiinflamasi TRPV1, University Research Colloqium, (September)
Sari I.W., Junaidin J. and Pratiwi D., 2020, Studi Molecular Docking Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon Stamineus B.) Pada Reseptor a-Glukosidase Sebagai Antidiabetes Tipe 2, Jurnal Farmagazine, 7 (2), 54.
Siregar S.R., 2019, Extensively Drug Resistant Tuberculosis (XDR-TB), Jurnal Averrous, 5 (2), 26–43.
Swantara I.M.D., Damayanti P.A. and Suirta I.W., 2022, Identifikasi Serta Uji Aktivitas Antibakteri Senyawa Flavonoid Ekstrak Daun Srikaya ( Annona squamosa Linn.), Jurnal Kimia (Journal Of Chemistry) 16, 16 (1)
Tapiory A.A., Pertiwi K.O., Fadilla K., Reyhanditya D. and Fatchiyah F., 2020, In-Silico Analysis of Methoxyl Pectin Compounds from Banana Peels as HMG- CoA Reductase Inhibitor Complexes, Journal of Smart Bioprospecting and Technology, 1 (2), 5–9.
WHO, 2021, Global Tuberculosis Report 2021, Geneva.
Wróbel A., Arciszewska K., Maliszewski D. and Drozdowska D., 2020, Trimethoprim And Other Nonclassical Antifolates an Excellent Template for Searching Modifications of Dihydrofolate Reductase Enzyme Inhibitors, Journal of Antibiotics, 73 (1), 5–27. Terdapat di: http://dx.doi.org/10.1038/s41429-019-0240-6.
Zhang Y., Chowdhury S., Rodrigues J. V. and Shakhnovich E., 2021, Development of antibacterial compounds that constrain evolutionary pathways to resistance, eLife, 10, 1–29.
Article Metrics
Abstract view(s): 743 time(s)PDF: 1972 time(s)
Refbacks
- There are currently no refbacks.
