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All Journal Journal of Food and Pharmaceutical Science Jurnal Pengabdian Kesehatan Journal of Food and Pharmaceutical Sciences
Wira Waskitha, Stephanus Satria
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Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Public Health Veterinary

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Molecular Docking Study of Caffeic Acid as Acetylcholinesterase Inhibitor Wira Waskitha, Stephanus Satria; Istyastono, Enade Perdana; Octa Riswanto , Florentinus Dika
Journal of Food and Pharmaceutical Sciences Vol 11, No 3 (2023): J.Food.Pharm.Sci
Publisher : Integrated Research and Testing Laboratory (LPPT) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.7665

Abstract

Abstract: Acetylcholinesterase (AChE) receptor is a receptor that has been widely used as a potential drug target for Alzheimer's disease. Caffeic acid is a phenolic compound that had been experimentally proven to be an inhibitor of AChE. In this study, 100 molecular docking simulations were performed to study the interaction of caffeic acid in inhibiting AChE. The molecular docking simulations were performed using YASARA software with an in-house developed plug-in. Redocking results showed that there were 99 out of 100 docking poses had an RMSD value of ≤ 2.000 Å, which indicated that the molecular docking procedure could be used for further processes. The molecular docking of caffeic acid showed that all docking poses had an RMSD value of ≤ 2.000 Å relative to the best pose of the first simulation, revealing that there was only one dominant docking pose in the AChE active site. Caffeic acid interacted favorably in the AChE active site with binding energy of about -8.022 kcal/mol. Its interactions were stabilized by hydrophobic and pi-anion interactions, in which some of the interactions resemble the same interaction of the native ligand. Keywords: Acetylcholinesterase, Alzheimer's disease, caffeic acid, molecular docking
Molecular Docking Study of Caffeic Acid as Acetylcholinesterase Inhibitor Wira Waskitha, Stephanus Satria; Istyastono, Enade Perdana; Octa Riswanto , Florentinus Dika
Journal of Food and Pharmaceutical Sciences Vol 11, No 3 (2023): J.Food.Pharm.Sci
Publisher : Integrated Research and Testing Laboratory (LPPT) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.7665

Abstract

Abstract: Acetylcholinesterase (AChE) receptor is a receptor that has been widely used as a potential drug target for Alzheimer's disease. Caffeic acid is a phenolic compound that had been experimentally proven to be an inhibitor of AChE. In this study, 100 molecular docking simulations were performed to study the interaction of caffeic acid in inhibiting AChE. The molecular docking simulations were performed using YASARA software with an in-house developed plug-in. Redocking results showed that there were 99 out of 100 docking poses had an RMSD value of ≤ 2.000 Å, which indicated that the molecular docking procedure could be used for further processes. The molecular docking of caffeic acid showed that all docking poses had an RMSD value of ≤ 2.000 Å relative to the best pose of the first simulation, revealing that there was only one dominant docking pose in the AChE active site. Caffeic acid interacted favorably in the AChE active site with binding energy of about -8.022 kcal/mol. Its interactions were stabilized by hydrophobic and pi-anion interactions, in which some of the interactions resemble the same interaction of the native ligand. Keywords: Acetylcholinesterase, Alzheimer's disease, caffeic acid, molecular docking
Implementasi Program Edukasi Pembuatan Ovitrap untuk Mengendalikan Persebaran DBD di Desa Kepek Kabupaten Gunung Kidul Dwiastuti, Rini; Wira Waskitha, Stephanus Satria; Setyaningsih, Dewi; Estyaningrum, Immanuela Putri Maharani; Simamora, Santika Ria Br; Graselia, Dena; Sihombing, Indri Andini; Pasa, Lidwina Vivi Reinha
Jurnal Pengabdian Kesehatan Vol 8, No 4 (2025): Jurnal Pengabdian Kesehatan
Publisher : Lembaga Penelitian dan Pengabdian Masyarakat (LPPM) STIKES Cendekia Utama Kudus

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31596/jpk.v8i4.587

Abstract

Demam berdarah dengue (DBD) merupakan penyakit yang disebabkan oleh infeksi virus dengue yang ditularkan oleh nyamuk berjenis Aedes aegypti dan Aedes albopictus. Penyakit ini telah menjadi permasalahan kesehatan serius di beberapa wilayah di Indonesia, terutama di Kabupaten Gunung Kidul. Kabupaten ini telah ditinjau dalam mengupayakan penurunan angka kasus penderita DBD, terutama di Kecamatan Wonosari. Tujuan dari penelitian dan pengabdian kepada masyarakat ini adalah memberikan edukasi pencegahan DBD dan pelatihan pembuatan ovitrap sederhana kepada masyarakat di Desa Kepek, Wonosari, Gunung Kidul. Metode yang digunakan pada kegiatan ini adalah pemberian edukasi oleh dosen dari Fakultas Farmasi Universitas Sanata Dharma (FF USD) dan kader kesehatan dari Puskesmas Wonosari II. Evaluasi peningkatan pemahaman peserta dilakukan menggunakan nilai pre-test dan post-test yang diperoleh peserta selama sebelum dan sesudah pemaparan edukasi. Kegiatan dilanjutkan dengan pelatihan pembuatan ovitrap sederhana oleh peserta. Hasil pelaksanaan kegiatan menunjukkan bahwa tidak ada perbedaan nilai rata-rata antara nilai pre-test dan post-test yang didukung melalui pendekatan statisika uji t berpasangan (paired-t test) dengan tingkat kepercayaan sebesar 95%. Penelitian ini menduga bahwa peserta telah miliki pemahaman dasar terkait pencegahan DBD dan penerapan ovitrap sebelum pemberian edukasi diberikan yang ditunjukkan dengan relatif tingginya nilai rata-rata pre-test yang diperoleh. Meskipun demikian, kegiatan ini memiliki dampak dalam meningkatkan kesadaran masyarakat dalam mengupayakan penurunan angka kasus DBD melalui pendekatan yang sederhana. Kegiatan ini menyoroti bahwa kolaborasi antara FF USD dengan Puskesmas Wonosari II memiliki potensi program yang keberlanjutan dalam menurunkan angka kasus DBD di Gunung Kidul, khususnya di Desa Kepek.
Co-Authors Dewi Setyaningsih Enade Perdana Istyastono Estyaningrum, Immanuela Putri Maharani Graselia, Dena Octa Riswanto , Florentinus Dika Pasa, Lidwina Vivi Reinha Rini Dwiastuti Sihombing, Indri Andini Simamora, Santika Ria Br