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All Journal Biology, Medicine, & Natural Product Chemistry
Susy Yunita Prabawati
UIN Sunan Kalijaga Yogyakarta
Biochemistry, Genetics & Molecular Biology Medicine & Pharmacology Public Health

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Molecular Docking and In Vitro Antibacterial Properties of Several Chalcone Derivatives Susy Yunita Prabawati; Priyagung Dhemi Widiakongko; Kurniawan Eka Yuda; Agianti Sugiyati
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.83-90

Abstract

Chalcones are flavonoid-derived secondary metabolites known for diverse biological activities, including antibacterial effects. This study investigates the antibacterial properties of two chalcone derivatived i.e. 4-dimethylamino-4-hydroxychalcone (DMAHC) and 6-fluoro-2-chloro-4-hydroxychalcone (FCHC) against Staphylococcus aureus and Escherichia coli through integrated in vitro and in silico analyses. Antibacterial activity assessed using the agar diffusion method at concentrations of 1; 5; and 10% (w/v) revealed that DMAHC exhibited dose-dependent inhibition of both bacterial species, whereas FCHC demonstrated activity only against S. aureus. Molecular docking was performed using target proteins from S. aureus (1MWT) and E. coli (7ONW). Both chalcones were capable of binding to the active-site residues of the respective proteins; however, DMAHC showed a more favorable binding affinity toward E. coli (deltaG = -7.04 kcal/mol) compared to FCHC (deltaG = -6.75 kcal/mol). Despite its negative binding energy, FCHC failed to inhibit E. coli in vitro, likely due to reduced membrane permeability associated with its halogen substituents. Overall, the combined results highlight DMAHC as a more promising antibacterial candidate than FCHC, particularly against Gram-negative bacteria, and underscore the importance of electron-donating substituents in enhancing chalcone bioactivity.
The Potential of Lime Juice in Reducing Fe Levels and Improving the Quality of Clove Leaf Oil Using Complexometry and Testing Its Antioxidant Activity Using DPPH (1,1-Diphenyl-2-picrylhydrazil) Teti Wulan Wulandari; Susy Yunita Prabawati
Biology, Medicine, & Natural Product Chemistry Vol 14, No 2 (2025)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2025.142.807-816

Abstract

Clove leaf oil from Samigaluh, Kulon Progo has high Fe content and low eugenol content due to an ineffective distillation process. This study aims to analyze the ability of lime juice as a purifying agent in reducing iron content through complexometry, varying the concentration of lime juice (2%, 3%, and 4%) and stirring time (30, 60, and 90 minutes) on 50 mL of clove leaf oil mixed with 50 mL of lime juice. Eugenol isolation was performed using KOH-H2SO4 extraction. Testing was also conducted on eugenol content, acid number, refractive index, specific gravity, and antioxidant activity using DPPH. Sample testing was performed using AAS, GC, and UV-Vis spectrophotometry. Optimal conditions were obtained at a lime juice concentration of 4% with 60 minutes of stirring, which successfully reduced Fe content from 17.6 to 1.7 mg/kg, increased eugenol content from 75.908% to 78.730% at a lime juice concentration of 3% and 90 minutes of stirring, reducing the acid number from 1.82 to 0.94 mg NaOH/g, increasing the refractive index from 1.331 to 1.529, and increasing the specific gravity from 1.020 to 1.036. Further redistillation with KOH and H2SO4 increased the purity of eugenol to 96.476% with strong antioxidant activity (IC50 57.45 ppm).
Co-Authors Agianti Sugiyati Kurniawan Eka Yuda Priyagung Dhemi Widiakongko Teti Wulan Wulandari