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All Journal Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan
Rosario Trijuliamos Manalu
Departemen Bioteknologi, Institut Sains dan Teknologi Nasional
Medicine & Pharmacology

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Studi In Silico Senyawa Aktif Asam Jawa (Tamarindus indica L.) Sebagai Antidiabetes Melalui Inhibisi Protein Tyrosine Phosphatase Tri Setyo Pamungkas; Rosario Trijuliamos Manalu
Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan Vol 8 No 1 (2023): JIIS
Publisher : Sekolah Tinggi Ilmu Kesehatan ISFI Banjarmasin

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Abstract

Tamarind leaves (Tamarindus indica L.) are widely cultivated in tropical countries, including Indonesia. Empirically, tamarind leaves are known to have anti-diabetic properties. In this study, an in-silico method was used to test the active compounds found in tamarind leaves (Tamarindus indica L.) as anti-diabetic agents through docking score analysis. The target protein used was Protein Tyrosine Phosphatase (5JNT) which is related to insulin resistance. Glimepiride and native ligand 5JNT were used as reference ligands, while the active compounds of tamarind leaves (Tamarindus indica L.) were used as the test ligands. There were 12 active compounds tested for drug-like properties based on the Lipinski Rule of Five, and 12 compounds met the criteria which were then tested through molecular docking using the PLANTS software. Based on the docking results, there were four compounds that had potential as anti-diabetic agents, namely linalool anthranilate, hexadecanol, pentadecanol, and benzyl benzoate, with docking scores of -85.889, -84.23032, -83.12325, and -81.54821 respectively. Although the docking scores of these compounds exceeded the score of the native ligand 5JNT, they did not exceed the score of the reference ligand glimepiride.
Studi In-Silico Senyawa Flavonoid Herba Kumis Kucing (Orthosiphon Stamineus B.) Sebagai Penghambat Enzim Siklooksigenase-2 Dandy Rifaldy Rifaldy; Rosario Trijuliamos Manalu
Jurnal Ilmu Farmasi dan Farmasi Klinik Vol 21, No 1 (2024): Jurnal Ilmu Farmasi & Farmasi Klinik
Publisher : Universitas Wahid Hasyim Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31942/jiffk.v21i1.8299

Abstract

Inflamasi adalah respons tubuh terhadap rangsangan yang dianggap berbahaya, namun inflamasi yang tidak tertangani akan menyebabkan inflamasi semakin memburuk. Penghambatan enzim siklooksigenase-2 (COX-2) oleh Non Steroidal Antiinflammatory Drug (NSAID) dapat mengurangi proses inflamasi, namun NSAID memiliki banyak efek samping negatif. Penelitian ini bertujuan menguji senyawa flavonoid herba kumis kucing (Orthosiphon stamineus B.) sebagai kandidat alternatif obat antiinflamasi, dengan melakukan studi in silico yang meliputi identifikasi sifat mirip obat, molecular docking, dan prediksi sifat farmakokinetik. Dari hasil analisis didapatkan dua senyawa flavonoid herba kumis kucing (Orthosiphon stamineus B.) yang memiliki afinitas lebih kuat dan stabil dalam pengikatan enzim siklooksigenase-2, yakni cirsimaritin dan pilloin dengan skor molecular docking -79,64 dan -80,61, dibandingkan ligan alami IMN skor -78,46 dan ligan pembanding ibuprofen skor -78,05, dengan memiliki pengikatan situs aktif yang mirip yakni pada residu asam amino Ser 530. Senyawa tersebut juga memenuhi kriteria sifat mirip obat dan diprediksi >90% molekulnya dapat diabsorpsi di usus, dimetabolisme oleh CYP3A4 di hati, dan tidak menyebabkan hepatotoxic, sehingga cirsimaritin dan pilloin berpotensi dikembangkan lebih lanjut untuk dijadikan kandidat obat antiinflamasi.
Co-Authors Dandy Rifaldy Rifaldy Tri Setyo Pamungkas