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All Journal Corona: Jurnal Ilmu Kesehatan Umum, Psikolog, Keperawatan dan Kebidanan Jurnal Farmasindo: Jurnal Penelitian dan Pengabdian Masyarakat
Anna Fitriawati
Universitas Duta Bangsa
Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health

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Analisis Docking Molekuler Senyawa Aktif Daun Mimba (Azadirachta indica) sebagai Inhibitor Lipase Beserta Modifikasi Senyawa Baru Tiara Ajeng Listyani; Anna Fitriawati; Bagas Ardiyantoro; Lathifah Nur Khasanah
Corona: Jurnal Ilmu Kesehatan Umum, Psikolog, Keperawatan dan Kebidanan Vol. 4 No. 3 (2026): September: Corona: Jurnal Ilmu Kesehatan Umum, Psikolog, Keperawatan dan Kebida
Publisher : Asosiasi Riset Ilmu Kesehatan Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61132/corona.v4i3.2511

Abstract

The global prevalence of obesity reached approximately 15% in 2020 and is projected to rise to 18% by 2030, making the inhibition of pancreatic lipase activity to prevent the hydrolysis of triglycerides into free fatty acids and monoglycerides a crucial therapeutic strategy. This study aimed to analyze the root-mean-square deviation (RMSD), ∆GBinding, and amino acid interactions of 70 active compounds from neem (Azadirachta indica) leaves against the lipase enzyme via molecular docking, alongside designing a novel modified compound as an anti-obesity drug candidate. Structure preparation, geometric optimization, docking simulations, method validation, and interaction visualization were performed using ChemDraw, VegaZZ, PyRx-AutoDock Vina, PyMOL, and Discovery Studio, respectively. The docking results revealed that 67 of the 70 active compounds exhibited valid RMSD values of ≤ 2 Å, 67 compounds showed favorable binding energies ranging from ∆Gbinding -5.3 kcal.mol to -9.8 kcal/mol, and 22 compounds shared identical amino acid residue interactions with the positive control, orlistat. Furthermore, a novel modified derivative of chlorogenic acid, namely (E)-5-(2-carboxyvinyl)-2,3,4-trihydroxybenzoic acid, demonstrated an RMSD of 1.522 Å, ∆GBinding -7.1 kcal/mol, and a conserved SER A:176 interaction matching the orlistat control. In conclusion, these findings successfully identify both native active constituents from neem leaves and a newly modified analog as potent lipase inhibitors through molecular docking approaches.
FORMULASI SEDIAAN MASKER GEL PEEL-OFF KOMBINASI EKSTRAK DAUN SIRIH (Piper betle L.) DAN MADU (Mel depuratum) SERTA UJI EFEKTIVITAS ANTIBAKTERI TERHADAP BAKTERI Staphylococcus aureus ATCC 25923 DAN Propionibacterium acnes ATCC 6919 Indah Agustianingsih Permatasari Subakti; Tatiana Siska Wardani; Anna Fitriawati
Jurnal Farmasindo: Jurnal Penelitian dan Pengabdian Masyarakat Vol. 9 No. 1 (2025): Juni
Publisher : Politeknik Indonusa Surakarta, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.46808/farmasindo.v9i1.238

Abstract

Skin prone to bacterial infections requires special care with antibacterial products. Betel leaf (Piper betle L.) and honey (Mel depuratum) are known for their antibacterial properties. This study aimed to evaluate the physical properties of peel-off gel masks and assess the antibacterial activity of the extracts against Staphylococcus aureus ATCC 25923 and Propionibacterium acnes ATCC 6919. The research used an experimental laboratory method with antibacterial testing through the disc diffusion method. One-Way ANOVA and Tukey HSD post-hoc tests were used to analyze the results.The peel-off gel mask preparations met the required physical standards, with acceptable spreadability, adhesiveness, drying time, and pH. The antibacterial test showed moderate activity, with average inhibition zones of 6.64 mm and 5.71 mm against Staphylococcus aureus, and 8.10 mm and 6.50 mm against Propionibacterium acnes for formulas 1 (20% betel leaf extract) and 3 (10% betel leaf extract and 10% honey). While honey didn’t show antibacterial effects in the mask, it helped maintain skin hydration. The ANOVA results showed a significant difference (p-value < 0.05) in antibacterial activity of the gel masks containing betel leaf extract and honey.
Co-Authors Bagas Ardiyantoro Indah Agustianingsih Permatasari Subakti Lathifah Nur Khasanah Listyani, Tiara Ajeng Wardani, Tatiana Siska