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All Journal Pharmascience JURNAL MANAJEMEN DAN PELAYANAN FARMASI (Journal of Management and Pharmacy Practice) Jurnal Pengabdian Kepada Masyarakat (Mediteg) Jurnal Ilmiah Medicamento Jurnal Insan Farmasi Indonesia Jurnal Inkofar Jurnal Bakti Untuk Negeri Journal of Pharmaceutical and Sciences. Jurnal Pengabdian Masyarakat Panacea Borneo Journal of Pharmacy
Akbar, Nabila Hadiah
Program Studi Farmasi Universitas Lambung Mangkurat, Kalimatan Selatan
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Dentistry Economics, Econometrics & Finance Education Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Transportation Veterinary

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Molecular Docking Analysis Of Phenolic and Flavonoid Compounds from Eichhornia Crassipes for Antidiabetic Activity Through Interaction with PPAR- γ (5Y2O) and A-Glucosidase (3TOP) Muslimawati, Khoirunnisa; Fakih, Taufik Muhammad; Akbar, Nabila Hadiah; Putra, Aditya Maulana Perdana; Isnani, Nazhipah
Journal of Pharmascience Vol 12, No 2 (2025): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v12i2.23583

Abstract

Diabetes Mellitus Tipe 2 (DMT2), ditandai dengan resistensi insulin dan hiperglikemia. Penelitian ini mengevaluasi potensi 30 senyawa golongan fenolik dan flavonoid dari Eichhornia crassipes sebagai agen antidiabetes melalui studi in silico, meliputi uji toksisitas (ToxTree 3.1.0, ProTox 3), analisis ADME (SwissADME), dan molecular docking (AutoDock 4.2.6). Struktur ligan uji diperoleh dari PubChem, sedangkan reseptor PPAR-γ (PDB ID: 5Y2O) dan α-Glukosidase (PDB ID: 3TOP) diunduh dari RCSB Protein Data Bank. Sebelum docking, analisis toksisitas dan ADME dilakukan. Hasil docking menunjukkan Tricin (flavonoid) berinteraksi baik dengan kedua reseptor dan memiliki nilai energi Gibbs -7.53 kcal/mol untuk PPAR-γ dan -5.19 kcal/mol untuk α-Glukosidase, mendekati ligan asli Pioglitazone (-10.03 kcal/mol) dan Acarbose (-6.86 kcal/mol). Interaksi ligan-reseptor Tricin melibatkan ikatan hidrogen dan kontak hidrofobik dengan residu kunci (misalnya, ARG288 dan TYR pada PPAR- γ, residu GLN1561 dan GLN1372 pada α-Glukosidase), mencerminkan interaksi ligan asli. Prediksi toksisitas mengklasifikasikan Tricin sebagai senyawa dengan risiko toksisitas rendah (Cramer Rules Kelas I, Kroes TTC). Selanjutnya, evaluasi ADME menunjukkan bahwa Tricin memenuhi Lipinski's Rule of Five, yang mengindikasikan penyerapan dan bioavailabilitas oral yang baik. Secara keseluruhan, senyawa Tricin dari E. crassipes menunjukkan potensi signifikan sebagai kandidat agen antidiabetes melalui penghambatan PPAR-γ dan α-Glukosidase yang selanjutnya memerlukan validasi dnegan pengujian in vitro dan in vivo. Kata Kunci: Eichhornia crassipes, Molecular Docking, Antidiabetic, PPAR-γ, α-Glucosidase Type 2 Diabetes Mellitus (T2DM), is characterized by insulin resistance and persistent hyperglycemia. This study investigated the antidiabetic potential of 30 phenolic and flavonoid compounds derived from Eichhornia crassipes using in silico approaches, including toxicity assessments (ToxTree 3.1.0, ProTox 3), ADME analysis (SwissADME), and molecular docking (AutoDock 4.2.6). Ligand structures were retrieved from PubChem, while PPAR-γ (5Y2O) and α-Glucosidase (3TOP) receptors were obtained from the RCSB Protein Data Bank. Toxicity and ADME analyses were conducted prior to molecular docking, which employed the Genetic Algorithm with 50 conformations. Docking results revealed that Tricin (a flavonoid) exhibited strong interactions with both receptors, with Gibbs free energy values of -7.53 kcal/mol for PPAR-γ and -5.19 kcal/mol for α-Glucosidase. These values are comparable to those of the native ligands Pioglitazone (-10.03 kcal/mol) and Acarbose (-6.86 kcal/mol). Tricin formed hydrogen bonds and hydrophobic contacts with key active site residues including, ARG288 and TYR327 in PPAR-γ, GLN1561 and GLN1372 in α-Glucosidase), mirroring the interactions of the native ligands. Toxicity predictions classified Tricin as low risk (Class I Cramer Rules, Kroes TTC). Furthermore, ADME evaluation showed that Tricin (aglycone) is fully compliant with Lipinski's Rule of Five, suggesting favorable properties for oral absorption and bioavailability. In conclusion, Tricin from E. crassipes demonstrates significant potential as an antidiabetic candidate and warrants further in vitro and in vivo validation.
Studi Perbandingan Antara Maserasi dan Accelerated Solvent Extraction (ASE) terhadap Hasil Ekstrak Daun Kalangkala (Litsea angulata) Akbar, Nabila Hadiah; Buih , Putri Helena Junjung; Muslimawati , Khoirunnisa; Putra , Aditya Maulana Perdana; Amalia , Adhindha; Putri , Dhea Juliana
Journal of Pharmaceutical and Sciences JPS Volume 9 Nomor 1 (2026)
Publisher : Fakultas Farmasi Universitas Tjut Nyak Dhien

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36490/journal-jps.com.v9i1.1305

Abstract

Kalangkala (Litsea angulata) is an endemic plant of Kalimantan that has long been used in local traditional medicine to manage various health conditions. Phytochemical reports indicate that Kalangkala contains diverse secondary metabolites, including phenolics, flavonoids, alkaloids, tannins, saponins, terpenoids, steroids, and carotenoids. Therefore, selecting an appropriate extraction method is essential to maximize metabolite recovery while minimizing degradation. This experimental study compared the extraction yield of Kalangkala leaf extract obtained using maceration and ASE (Accelerated Solvent Extraction) methods. Each method was performed in three replicates and the percentage yield was calculated. Maceration produced yields of 2.10-2.18%, whereas ASE produced higher yields of 13.25-14.01%. the mean yield of maceration was 2.14 ± 0.04% (95% Cl: 2.04-2.24), while ASE achieved 13.64 ± 0.38% (95%Cl: 12.69-14.58). A two-tailed Welch’s t-test confirmed a statistically significant difference between methods (p = 0.00032), with a mean difference of 11.49% (95% Cl: 10.56-12.42). In conclusion, ASE provided a higher extraction yield than maceration under the conditions evaluated in this study.
Co-Authors Alfandani, Gina Amalia , Adhindha Aprilianes, Alif Vera Arnida Arnida Buih , Putri Helena Junjung Candra Wijaya Candra Wijaya, Candra Deni Setiawan Farendina Suarantika Herningtyas Nautika Lingga Khalid, Ega Rezkyan Khoirunnisa Muslimawati Khumaira Sari, Anna Liling Triyasmono Muhammad Ikhwan Rizki Muhammad Muhatadin Jamil Muhammad Zaini Muliyani Muliyani Muliyani Muslimawati , Khoirunnisa Nani Kartinah Nashrul Wathan Nazhipah Isnani Noor Rizkiyah Nurul Mardiati Okta Muthia Sari Okta Sari, Okta Putra , Aditya Maulana Perdana Putra, Aditya Maulana Perdana Putri , Dhea Juliana Salsabila, Risma Zahra Salwa, Helmina Sandi, Dita Ayulia Dwi Sari, Risa Purnama Sutomo Sutomo Taufik Muhammad Fakih Vinda Maharani Patricia