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Molecular interaction analysis of ferulic acid (4-hydroxy-3-methoxycinnamic acid) as main bioactive compound from palm oil waste against MCF-7 receptors: An in silico study Herdiansyah, Mochammad A.; Rizaldy, Rafli; Alifiansyah, Mochamad RT.; Fetty, Amelia JT.; Anggraini, Dhea; Agustina, Niken; Alfian, Fariz R.; Setianingsih, Primanita NM.; Elfianah, Verah; Aulia, Halimatus S.; Putra, Justitia ERP.; Ansori, Arif NM.; Kharisma, Viol D.; Jakhmola, Vikash; Purnobasuki, Hery; Pratiwi, Intan A.; Rebezov, Maksim; Shmeleva, Svetlana; Bonkalo, Tatyana; Kovalchuk, Dmitriy F.; Zainul, Rahadian
Narra J Vol. 4 No. 2 (2024): August 2024
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v4i2.775

Abstract

Ferulic acid (4-hydroxy-3-methoxycinnamic acid) is a phytochemical compound that is commonly found in conjugated forms within mono-, di-, polysaccharides and other organic compounds in cell walls of grain, fruits, and vegetables. This compound is highly abundant in the palm oil waste. The aim of the study was to predict the anticancer activity of ferulic acid against the breast cancer cell lines (MCF-7) receptors through a computational analysis. MCF-7 receptors with PDB IDs of 1R5K, 2IOG, 4IV2, 4IW6, 5DUE, 5T92, and 5U2B were selected based on the SMILE similarity of the native ligand. Thereafter, the protein was prepared on Chimera 1.16 and docked with ferulic acid on Autodock Vina 1.2.5. The ligand-protein complex interaction was validated by computing the root mean square fluctuation (RMSF) and radius of gyration (Rg) through molecular dynamic simulation. In addition, an absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction was performed on ferulic acid using the pkCSM platform. The molecular docking revealed that the ferulic acid could interact with all receptors as indicated by the affinity energy <-5 kcal/mol. The compound had the most optimum interaction with receptor 2IOG (affinity energy=-6.96 kcal/mol), involving hydrophobic interaction (n=12) and polar hydrogen interaction (n=4). The molecular dynamic simulation revealed that the complex had an RMSF of 1.713 Å with a fluctuation of Rg value around 1.000 Å. The ADMET properties of ferulic acid suggested that the compound is an ideal drug candidate. In conclusion, this study suggested that ferulic acid, which can be isolated from palm oil waste, has the potential to interact with MCF-7 receptors.
PENGARUH BABY MASSAGE DENGAN MENGGUNAKAN MINYAK ZAITUN (OLIVE OIL) TERHADAP KUALITAS TIDUR ANAK USIA TODDLER DI POSYANDU BALITA DESA MALANGJIWAN KABUPATEN KARANGANYAR agustina, niken; Aryani, Atik; suwarni, anik
Jurnal Ilmu Keperawatan Indonesia (JIKI) Vol. 17 No. 2 (2024): Jurnal Ilmu Keperawatan Vol 17 No 2 Oktober 2024
Publisher : Universitas Sahid Surakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Tidur merupakan salah satu kebutuhan dasar untuk tumbuh kembang optimal bagi seorang anak. Pola tidur dipengaruhi oleh beberapa faktor yaitu faktor internal pada diri toddler dan faktor lingkungan fisik. Gangguan tidur pada toddler dapat menghambat pengeluaran hormon pertumbuhan dan regenerasi sel-sel pada tubuh, sehingga anti body pada anak akan melemah. Pijat bayi menggunakan minyak zaitun dapat meningkatkan kualitas tidur toddler, karena minyak zaitun mengandung lemak baik yang melembabkan dan mengenyalkan kulit toddler. Tujuan penelitian ini untuk mengetahui pengaruh baby massage dengan menggunakan minyak zaitun (olive oil) terhadap kualitas tidur anak usia toddler. Rancangan Penelitian ini menggunakan metode kuantitatif, jenis penelitian bersifat pre eksperimental dengan desain One group pretest-posttest. Sampel penelitian ditentukan dengan purposive sampling bayi yang usianya 3 tahun dengan jumlah sempel 21 responden. Instrumen penelitian menggunakan SOP baby massage dan kuesioner BISQ (Brief Infant Slaap Questionnaire). Hasil nilai pre-test kualitas tidur baik 5 responden (23%), kualitas tidur buruk 16 responden (76,2%) dan nilai post-test kualitas tidur baik 21 responden (100,0%). Hasil uji paired t-test menunjukkan nilai pre-test dan post-test memiliki perbedaan yang signifikansi. Diperoleh nilai p value < 0,05. Ada pengaruh baby massage dengan menggunakan minyak zaitun terhadap kualitas tidur bayi pada Posyandu Balita di Desa Malangjiwan Kabupaten Karanganyar.