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All Journal IPTEKMA Journal of Pharmaceutical Science and Application Syntax Literate : Jurnal Ilmiah Indonesia JURNAL MANAJEMEN DAN PELAYANAN FARMASI (Journal of Management and Pharmacy Practice) Bali Health Journal Jurnal Kesmas (Kesehatan Masyarakat) Khatulistiwa Jurnal Jejaring Matematika dan Sains Jurnal Bali Membangun Bali Humantech : Jurnal Ilmiah Multidisiplin Indonesia
I Wayan Martadi Santika
Program Studi Farmasi, Fakultas Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Udayana, Bali
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Public Health Social Sciences Transportation Other

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Journal : Jurnal Jejaring Matematika dan Sains

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Molecular Docking Senyawa α-mangostin sebagai Antiinflamasi secara In Silico Ni Kadek Ayu Arik Setyawati; I Wayan Martadi Santika; Putu Sana Yustiantara
Jurnal Jejaring Matematika dan Sains Vol. 4 No. 2 (2022): Vol. 4 No. 2 (2022): Edisi Desember 2022
Publisher : Fakultas Matematika dan Ilmu Pengetahuan Alam, Universitas Palangka Raya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36873/jjms.2022.v4.i2.707

Abstract

Inflammation is the body's physiological response to infection and tissue injury. Inflammatory mediators, especially cytokines such as tumor necrosis factor-alpha (TNF-α), interleukin-1 beta (IL-1β), and interleukin-6 (IL-6) are cytokines involved in acute inflammation. Inflammation can occur when these inflammatory mediators interact with each other. α-mangostin is one of the xanthone that found in the pericarp of mangosteen which has anti-inflammatory activity. The aim of this study was to determine the mechanism of inhibition of ICE protein by α-mangostin in silico with molecular docking. Molecular docking in silico was carried out in several stages, such as preparation and optimization of the 3D structure of α-mangostin, preparation of the target protein, validation of the molecular docking method, and docking of α-mangostin compounds on ICE which refers to the parameters of the bond energy and the type of bond formed. If the bond energy value between the test compound and the target protein is lower, the bonds formed will be stronger and more stable. The results of molecular docking of α-mangostin to ICE protein is the between α-mangostin to ICE protein with a binding energy is about -4,29 kkal/mol. The negative binding energy indicates that α-mangostin has anti-inflammatory activity with an ICE inhibitory mechanism.
Co-Authors A.A.Kt. Sri Trisna Dewi W Dewa Ayu Made Adnya Swari I Gusti Made Aman I Made Agus Gelgel Wirasuta I Nyoman Arsana I Nyoman Kadjeng Widjaja I Putu Sudiartawan Ida Bagus Putra Suta Ida Bagus Wiryanatha Ketut Widyani Astuti Luh Putu Febryana Larasanty Luh Putu Febryana Larasanty Made Adi Wira Darma Made Krisna Adi Jaya Mita Ayu Wulandari Ni Kadek Ayu Arik Setyawati Ni Kadek Warditiani Ni Luh Gede Sudaryati Ni Made Widiastuti Ni Putu Aryati Suryaningsih Ni Putu Dewi Rahayuni Pande Made Nova Armita Putri, Dhiancinantyan Windydaca Brata Putu Eka Arimbawa Putu Eka Arimbawa Putu Lakustini Cahyaningrum Putu Sana Yustiantara