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All Journal Spizaetus: Jurnal Biologi dan Pendidikan Biologi Journal Pharmasci (Journal of Pharmacy and Science)
Gabriella Chandrakirana Krisnamurti
Biotechnology Program, School of Bioresources and Technology, King Mongkut’s University of Technology Thonburi, 10150 Bang Khun Thian, Bangkok, Thailand
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Education Health Professions Immunology & microbiology Medicine & Pharmacology Other

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Kajian Bioinformatika Penghambatan Alosterik Asemanan Dan Glukomanan Terhadap C-JUN NH2 Terminal Kinase (JNK) Dewi Ratih Tirto Sari; Reni Ustiatik; Jatmiko Eko Witoyo; Gabriella Chandrakirana Krisnamurti; Yohanes Bare
Spizaetus: Jurnal Biologi dan Pendidikan Biologi Vol 2 No 2 (2021): Spizaetus: Jurnal Biologi dan Pendidikan Biologi
Publisher : Program Studi Pendidikan Biologi, FKIP, Universitas Nusa Nipa

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55241/spibio.v2i2.47

Abstract

cJun NH2 terminal Kinase (JNK) merupakan protein kinase family MAPK yang berperan dalam j alur pensinyalan penyakit metabolisme, salah satunya dalam regulasi faktor resiko obesitas. Penelitian in bertujuan untuk mengeksplorasi potensi asemanan dan glukomanan dalam menghambat JNK sebagai antidiabetes.metode pendekatan molecular docking digunakan untuk mengidentifikasi interaksi antara senyawa asemanan dan glukomanan terhadap protein JNK. Asemanan dan glukomanan berikatan di sisi aktif yang berbeda satu sama lain. Residu sisi aktif asemanan berada di close gate protein JNK, sedangkan glukomanan menunjukkan sisi aktif jalur ikatan inhibitor dari JNK. Asemanan dan glukomanan menghambat aktivitas JNK dengan berikatan di sisi non-katalitik dan diprediksi penghambatan protein JNK oleh kedua senyawa secara alosterik yang dapat merubah konformasi protein JNK. Selain itu, asemanan berikatan dengan kuat terhadap protein JNK dengan jenis ikatan hydrogen, interaksi hidrofobik dan elektrostatik dengan energi ikatan yang lebih rendah dari glukomanan – JNK. Penelitian disimpulkan bahwa senyawa asemanan dan glukomanan berpotensi sebagai antiobesitas dengan peranannya sebagai inhibitor terhadap protein JNK.
Virtual Mapping of Secondary Metabolite Activities Containing in Caesalpinia sappan L. Heartwood through In Silico Study: Pemetaan Bioaktivitas senyawa metabolit sekunder pada kayu secang (Caesalpinia sappan) secara in silico Dewi Ratih Tirto Sari; Gabriella Chandrakirana Krisnamurti; Yohanes Bare
Journal Pharmasci (Journal of Pharmacy and Science) Vol. 7 No. 1 (2022): Journal Pharmasci (Journal of Pharmacy and Science)
Publisher : Akademi Farmasi Surabaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.53342/pharmasci.v7i1.274

Abstract

Caesalpinia sappan L heartwood is a leguminoceae plant that grow in Indonesia landscape, uses as traditional herbal medicine and natural textile dye. Caesalpinia sappan heartwood also contains homoisoflavonoids as natural pigment and bioactive compound, promotes several human health benefits. This study provide biological function prediction and mapping through in silico approach. The compounds from Caesalpinia sappan were listed and downloaded from Knapsack webserver. PubChem NCBI was used to retrieve the canonical smiles of Caesalpinia sappan compounds. Biological activity of Caesalpinia were predicted by Online PASS Two Way drug website and performed in heatmap. Structure activity relationship (SAR) of quercetin-3,7-Di-O-Methyl Ether 3'-O-Methylbrazilin, 2'-Methoxyisoliquiritigenin, Isoliquiritigenin 2'-Methy Ether and Quercetin-3′,4′-Di-O-Methyl Ether revealed antioxidant, nitric oxide scavenger, antimycobacterial, antibacterial, antiinflammation, and act as lipoxygenase inhibitor agent. Furthermore, Quercetin-3′,4′-Di-O-Methyl Ether (17) proved higher antivirus activity than other compounds. 2'-Methoxyisoliquiritigenin (20) and Isoliquiritigenin 2'-Methy Ether (27) performed higher neuroprotective effect than others. Molecular docking and dynamis are required for further investigation.
Co-Authors Bare, Yohanes Dewi Ratih Tirto Sari Dewi Ratih Tirto Sari Jatmiko Eko Witoyo Reni Ustiatik Yohanes Bare