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Journal : Jurnal Delima Harapan

DESIGN AND MOLECULAR DOCKING STUDY ADME/TOX COMPOSITION COMPOUND OF EUCALYPTUS ESSENTIAL OIL (Eucalyptus Camaldulensis DEHNH.) AS AN INHIBITOR OF α-AMYLASE AND α-GLUCOSIDASE ENZYMES Listyani, Tiara Ajeng; Artini, Kusumaningtyas Siwi; Sejati, Siti Laila Utari
Jurnal Delima Harapan Vol 12 No 1 (2025): Maret
Publisher : AKADEMI KEBIDANAN HARAPAN MULYA PONOROGO

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31935/delima.v12i1.279

Abstract

Background: Composition compound of Eucalyptus Essential Oil (Eucalyptus Camaldulensis DEHNH.) have been reported as inhibitors of α-amylase and α-glucosidase in vitro for antidiabetics. Objective: This study aims to determine the interaction patterns and ΔGbind between Composition compound of Eucalyptus Essential Oil on α-amylase and α-glucosidase with prediction ADME and toxicity. Method: Composition compound of Eucalyptus Essential Oil was optimized for geometry using VegaZZ and prepared as a ligand. Next, preparations for target receptors, α-amylase and α-glucosidase. Validation of docking method and molecular docking analysis using PyRx-Python-AutoDock Vina. Prediction of ADME values used SwissADME, while Toxicity Prediction used Toxtree. Results: There are hydrogen bond interactions between the amino acids GluA:233 and AspA:300, and AspA:197 in the compound 5-Amino-4-cyano-3-(4-ethyllaminobutyl) pyrazole from the α-amylase and AsnA:797 and AsnA:496 from the α-glucosidase. There is no relationship between ΔGbind and the Composition compound of Eucalyptus Essential Oil with the enzyme binding site. The compound 5-Amino-4-cyano-3-(4-ethyllaminobutyl) pyrazole has the lowest ΔGbind value and the RMSD on α-amylase and α-glucosidase is -3.7 kcal/mol; 1.85Å, -4.1 kcal/mol; 1.565Å. The results of the ADME test were found meet the Lipinski Five Rule. The toxicity test results are not carcinogenic or mutagenic, except 5-Amino-4-cyan0-3-(4-ethyllaminobutyl) pyrazole. The new compound design of 3-(4-(ethylamino)butyl)-5-hydroxy-1H-pyrazole-4-carbonitrile showed a decrease in ΔGbind of α-amylase with fixed ADME profile and safer toxicity parameters. Conclusion: Composition compound of Eucalyptus Essential Oil (Eucalyptus Camaldulensis DEHNH.) has the potential to be an oral medicine candidate inhibitors of α-amylase and α-glucosidase for antidiabetes.
FORMULASI DAN UJI STABILITAS SEDIAAN EYESHADOW CREAM EKSTRAK KELOPAK BUNGA ROSELLA (HIBISCUS SABDARIFFA L). Ekarani, Meisyah Litang; Listyani, Tiara Ajeng; Apriliawan, Hidayah
Jurnal Delima Harapan Vol 12 No 2 (2025): September
Publisher : AKADEMI KEBIDANAN HARAPAN MULYA PONOROGO

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31935/delima.v12i2.324

Abstract

Latar Belakang: Kelopak bunga rosella (Hibiscus Sabdariffa L.) mengandung senyawa antosianin yang berpotensi sebagai pewarna alami dalam formulasi sediaan kosmetik. Tujuan: Pada penelitian ekstrak kelopak bunga rosella (Hibiscus sabdariffa L.) digunakan sebagai pewarna alami dalam formulasi eyeshadow cream yang memenuhi standar mutu fisik, mengetahui pengaruh konsentrasi terhadap stabilitas fisik sediaan, serta menentukan konsentrasi terbaik. Metode: Ekstrak kelopak bunga rosella diperoleh melalui metode maserasi menggunakan etanol 70%, kemudian diformulasikan menjadi sediaan eyeshadow cream dalam tiga konsentrasi, yaitu 1% (F1), 2% (F2), dan 3% (F3). Uji mutu fisik sediaan dilakukan melalui uji organoleptik, homogenitas, pH, viskositas, daya sebar, dan daya lekat. Stabilitas fisik diuji menggunakan metode cycling test selama 12 hari. Analisis data dilakukan dengan uji One Way ANOVA untuk mengetahui pengaruh variasi konsentrasi ekstrak terhadap parameter fisik. Hasil: Hasil menunjukkan bahwa seluruh formula memenuhi standar mutu fisik dan stabil selama penyimpanan. Variasi konsentrasi ekstrak memberikan pengaruh signifikan (p < 0,05) terhadap beberapa parameter fisik. Formula F3 (3%) dinilai sebagai formula terbaik karena memiliki pH sesuai kulit (4,56–4,94), viskositas ideal (3.170 mPa·s), daya sebar luas (57,6 mm), dan warna yang paling intens Simpulan: Kesimpulan dari penelitian ini adalah ekstrak kelopak bunga rosella dapat diformulasikan sebagai sediaan eyeshadow cream yang stabil pada uji stabilitas.