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All Journal Media Farmasi Journal of Pharmaceutical Science and Clinical Pharmacy (PSCP)
Rasida, Rima
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Health Professions Immunology & microbiology Medicine & Pharmacology Neuroscience Public Health

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In-Silico Analysis of Momordica charantia L. As Antidiabetic Agents Through Activation of Human UDP-Galactose 4-Epimerase Receptors Pramesthi, Asri Dwi Endah Dewi; Suwarno, Kafka Navisa; Pratama, Aldo; Rasyidah, Jamiatur; I Wayan Surya Rahadi; Rasida, Rima
Media Farmasi Vol 20 No 2 (2024): Media Farmasi Edisi Oktober 2024
Publisher : Jurusan Farmasi Poltekkes kemenkes Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.32382/mf.v20i2.1002

Abstract

This study investigates the antidiabetic potential of compounds found in Momordica charantia L., commonly known as bitter melon, through molecular docking and ADME (Absorption, Distribution, Metabolism, and Excretion) analysis. Utilizing in silico methods, several bioactive compounds from bitter melon, such as charantin, vicine, momordenol, momordicilin, and momordicoside, were evaluated for their ability to interact with the human UDP-Galactose 4-Epimerase receptor, a key enzyme involved in glucose metabolism. The docking results indicate that these compounds exhibit strong binding affinities, suggesting their role in glucose regulation. Further ADME analysis revealed that the compounds generally comply with the Lipinski Rule of Five, indicating favorable drug-like properties, though some compounds exhibited potential toxicities requiring further investigation. These findings highlight the potential of Momordica charantia as a source of antidiabetic agents, warranting additional in vivo and clinical studies to confirm their efficacy and safety in managing diabetes mellitus.
Studi In Silico Senyawa 2-Hidroksi-1,4-Naftokuinon dari Daun Lawsonia inermis sebagai Inhibitor Potensial Enzim Thymidine Kinase Varicella Zoster Virus Rasida, Rima; Pratama, Rizki Rahmadi; Fauzi, Muhammad; Ardiansyah, Seno Aulia
Pharmaceutical Science and Clinical Pharmacy Vol 4 No 1 (2026): Februari 2026
Publisher : Akademi Farmasi Bumi Siliwangi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61329/pscp.v4i1.59

Abstract

Lawsonia inermis L. (henna) dikenal secara tradisional di Kalimantan Selatan sebagai tanaman obat untuk perawatan cacar air. Salah satu senyawa bioaktif utama, 2-hidroksi-1,4-naftokuinon (lawsone), memiliki potensi biologis yang luas, termasuk aktivitas antivirus. Penelitian ini bertujuan mengevaluasi potensi lawsone sebagai inhibitor terhadap enzim thymidine kinase (TK) Varicella Zoster Virus (VZV) secara in silico menggunakan pendekatan docking molekuler dan prediksi ADMET. Struktur ligan dan protein diunduh dari PubChem dan PDB, diproses menggunakan AutoDock. Hasil docking menunjukkan bahwa lawsone memiliki energi pengikatan −6,92 kcal/mol dan Ki 8,45 µM, lebih baik dibanding acyclovir (−4,54 kcal/mol; Ki 469,61 µM). Analisis interaksi mengungkapkan ikatan hidrogen, elektrostatik, hidrofobik, dan π–π stacking dengan residu kunci situs aktif, memperkuat stabilitas kompleks. Prediksi ADMET menunjukkan absorpsi usus tinggi (94,28%), permeabilitas Caco-2 baik, penetrasi jaringan luas, volume distribusi lebih besar, serta metabolisme hepatik aman melalui oksidasi/hidroksilasi dan konjugasi fase II. Ekskresi lawsone lebih seimbang dengan clearance rendah, mendukung durasi aksi lebih panjang. Meski sinyal AMES positif dan potensi hepatotoksisitas terdeteksi, validasi eksperimental diperlukan sebelum pra-klinis. Kombinasi afinitas pengikatan tinggi dan profil ADMET yang menjanjikan menempatkan lawsone sebagai kandidat alami potensial untuk pengembangan terapi antivirus terhadap VZV.
Co-Authors Ardiansyah, Seno Aulia I Wayan Surya Rahadi Nur ‘Azah Pramesthi, Asri Dwi Endah Dewi Pratama, Aldo Rasyidah, Jamiatur Rizki Rahmadi Pratama Suwarno, Kafka Navisa