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All Journal Journal of Food and Pharmaceutical Science CAKRA KIMIA (Indonesian E-Journal of Applied Chemistry) INDONESIAN JOURNAL OF LEGAL AND FORENSIC SCIENCES Jurnal Kimia (Journal of Chemistry) METAMORFOSA Journal of Biological Sciences Jurnal Farmasi Udayana Jurnal Farmasi Klinik Indonesia Universa Medicina Acta Pharmaciae Indonesia : Acta Pharm Indo Journal of Health Sciences and Medicine Pharmacy Reports Journal Transformation of Mandalika Prosiding Workshop dan Seminar Nasional Farmasi (WSNF) Journal of Food and Pharmaceutical Sciences
Ni Made Pitri Susanti
Udayana University
Aerospace Engineering Agriculture, Biological Sciences & Forestry Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Dentistry Economics, Econometrics & Finance Electrical & Electronics Engineering Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Neuroscience Physics Public Health

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Journal : Universa Medicina

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Antimalarial flavonoid glycoside from Carica papaya with inhibitory potential against Plasmodium falciparum dihydrofolate reductase thymidylate synthase: an in-silico study Sri Laksemi, Dewa Ayu Agus; Primayanti, I Dewa Ayu Inten Dwi; Surudarma, I Wayan; Damayanti, Putu Ayu Asri; Susanti, Ni Made Pitri
Universa Medicina Vol. 44 No. 1 (2025)
Publisher : Faculty of Medicine, Universitas Trisakti

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18051/UnivMed.2025.v44.26-33

Abstract

BACKGROUNDCarica papaya is traditionally used to treat malaria. The mechanism of action of the active constituents may be determined by molecular docking. This study therefore examined the in silico antimalarial activity of selected compounds from Carica papaya using Plasmodium falciparum dihydrofolate reductase thymidylate synthase (PfDHFR-TS) as target protein. METHODSAntimalarial activity screening of Carica papaya compounds was done in silico using AutoDock 4.2 software which was equipped with Autodock tools 1.5.6 for preparation. Five compounds contained in Carica papaya leaves, i.e. quercitrin, isoquercitrin, carpaine, caricaxanthin, and violaxanthin were successfully docked with the target protein. The molecular docking method is declared valid if the RMSD obtained is not more than 2 Å. In vitro evaluation of the test compounds as antimalarials was accomplished by determining their inhibitory activity against dihydrofolate reductase thymidylate synthase (PfDHFR-TS) which plays a role in the synthesis of nucleotides needed by Plasmodium falciparum. RESULTSValidation of Plasmodium falciparum DHFR-TS with PDB ID 1J3I showed an RMSD value of 1.58 Å. The docking results showed that quercitrin, isoquercitrin, carpaine, and caricaxanthin showed negative energy values similar to the native ligand. Therefore the four compounds have good affinity for the target protein, while violaxanthin shows a positive energy value, indicating no affinity for the target protein. CONCLUSIONBased on binding affinity values and molecular interactions, isoquercitrin and quercitrin have inhibitory activity against dihydrofolate reductase thymidylate synthase (PfDHFR-TS), such that they have potential as natural antimalarial candidates.
Co-Authors Adhyaksa, I Nyoman Mahesa Praba Amir Musadad Anjani, Ni Luh Ari Krisma Bhadreswara, I Gede Rheza Wisnu C. Juwianti D. P.D. Saputra Daryono H. Tjahjono Dewa Ayu Swastini Dewi K. A. S. Dewi, A.A.R.P. Dewi, Luh Putu Mirah Kusuma Dewi, N. M. A. P. Diajeng Putri Dwinda Saputra Febriani, Ni Kadek Dwi G. A. K. Amarawati G. A.K. Amarawati Harlina Setiawati Manurung I Dewa Ayu Inten Dwi Primayanti, I Dewa Ayu Inten Dwi I K. Duantara I K. N. S. Sanjaya I Made Agus Gelgel Wirasuta I N.K. Widjaja I. N. T. Wisesa I. P.D.N. I. P. D. N. Parahyangan K. G. Gityarani K. M. Arianti Khatija Taher Ali Kusuma Dewi, Luh Putu Mirah L. P. M. K. Dewi Laksmiani, Ni Made Linda Luh Gede Winda Kusuma Dewi Luh Putu Febryana Larasanty Luh Putu Mirah Kusuma Dewi M. D. Widyastuti M. Primantara Made Gede Praditya Putra Meilinayanti, Ni Made L. Milawati Milawati N. K. M. Noviyanti N. K. M. Noviyanti N. L. P. V. Paramita Ni Kadek Dwi Candra Sasmita Yanti Ni Kadek Warditian Ni Kadek Warditiani Ni Made Dwi Indayani Ni Putu Arista Dewi Ni Putu Linda Laksmiani Nyunda, Ricky Putra Banyim Oka M. P. L. Hendrayati P. V. P. Putri P.P.K. Vedawati P.R. Satriari Pinangkaan, C. Pradnyana, I Gusti Ngurah Agung Pramesti, Ni Luh Putu Cintya Primadewi C. Putri, Ketut Yuantarisa Kartika Putri, Lucienne Agatha Larasati Nugraha Putu Ayu Asri Damayanti Putu Oka Samirana Rahmana E. Kartasasmita Rama Raditya, I Putu Gede Rismayanti, A. A. M. I. Riswana, I Kadek Rizki Sri Laksemi, Dewa Ayu Agus Sukamto, Ika Sumiyarsi Sunariyani, P. E. A. Surudarma, I Wayan Vera Parwati, Kadek Sandra W. A. Wijaya Wiantini, Ni Made Rita Widhiastuti, K.A.P. Widjaja I N.K. Widjaja, I N. K Widjaja, I. N. K.