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All Journal JURNAL KIMIA SAINS DAN APLIKASI Jurnal Pendidikan Kimia Indonesia Jurnal Entropi Biology, Medicine, & Natural Product Chemistry Jurnal Tadris Kimiya Indonesian Journal of Chemistry Chemistry Indonesian Journal of Chemical Research AR-RAZI Jurnal Ilmiah Jurnal Kartika Kimia Jambura Journal of Educational Chemistry Jambura Journal of Chemistry JCER (Journal of Chemistry Education Research) Jurnal Crystal : Publikasi Penelitian Kimia dan Terapannya Acta Chimica Asiana Hydrogen: Jurnal Kependidikan Kimia Indonesian Journal of Pharmaceutical Education Indonesian Journal of Chemistry and Environment JURNAL KIMIA SAINTEK DAN PENDIDIKAN Jurnal Manusia dan Lingkungan Molekul: Jurnal Ilmiah Kimia International Journal of Technology and Education Research Algoritma: Jurnal Matematika, Ilmu Pengetahuan Alam, Kebumian dan Angkasa Jurnal Sains dan Kesehatan Damhil: Jurnal Pengabdian kepada Masyarakat Jurnal Pendidikan Kimia, Fisika dan Biologi Konstanta : Jurnal Matematika dan Ilmu Pengelatuan Alam
Akram La Kilo
Universitas Negeri Gorontalo
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Decision Sciences, Operations Research & Management Earth & Planetary Sciences Education Engineering Environmental Science Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Public Health Social Sciences Other

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Journal : Jurnal Kartika Kimia

 1 
Computational Study of Phytopharmaceutical Antidiabetes Potential of Gorontalo Traditional Medicine Plants La Kilo, Akram; Aman, La Ode; Asisah, Asisah; Ischak, Netty Ino; Paputungan, Mardjan; Alio, La
Jurnal Kartika Kimia Vol 6 No 1 (2023): Jurnal Kartika Kimia
Publisher : Department of Chemistry, Faculty of Sciences and Informatics, University of Jenderal Achmad Yani

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/jkk.v6i1.202

Abstract

Diabetes Mellitus (DM) was a disease characterized by the occurrence of hyperglycemia. This study aimed to analyze the activity of compounds in traditional medicinal plants as potential anti-diabetic candidates using the MM method and to analyze the interactions of compounds contained in traditional medicinal plants that could be used as anti-diabetic drugs. The methods used were Molecular docking and Molecular dynamics, with the Aldose reductase 2HV5 receptor and the ligand ZST. Based on the research findings, the active compounds identified as potential anti-diabetic drugs were Calebin_A and alpha_tocotrienol. Docking method validation on Protein 2HV5 using the natural ligand ZST showed an RMSD of 0.66 Å. The best results from molecular docking were obtained with Calebin_A, which had a binding affinity of -11.3 kcal/mol, and alpha_tocotrienol, which had a binding affinity of -11.2 kcal/mol. The results of the molecular dynamics method on the best complexes were evaluated by considering the changes in system energy, system temperature, pressure, RMSD, RMSF, and binding free energy (∆G). The standard ligand ZST had a value of -30.43 kcal/mol, the test ligand calebin_A had a value of -34.48 kcal/mol, and alpha_tocotrienol had a value of -39.46 kcal/mol.
Co-Authors Ahmad Kadir Kilo Alberto Costanzo Alberto Costanzo Ambarwati Ambarwati Anita Muhammad Arsyad, Muhammad Arif M. Arviani Arviani Asisah, Asisah Astin Lukum Bait, Dewimuliawati J. Bambang Prijamboedi Botutihe, Deasy N. Bumulo, Nuraini Christopel, Nelpiani Christopel, Nelpiani D. Mazza D. Mazza, D. Daing, Hardianti Dandi Saputra Halidi Daniele Mazza Daniele Mazza Deasy N Botutihe Deasy Natalia Botutihe Dewi Budi Purwati Dilapanga, Windi Djafar, Yuliyanti Wahab Eka Anggraini Odja Erga Kurniawati Erni Mohamad Fatma Tahir Gonibala, Alfikry Hadis, Sutra S Hendri Iyabu Hendri Iyabu Hidanurhayati, Hidanurhayati Ibrahim, Indriyanti Ika Riyana Tungkagi Ishak Isa Ismunandar Ismunandar Jafar La Kilo Julhim S Tangio Julhim S. Tangio K. Salimi, Yuszda Kadir Kilo, Ahmad Kadir, Ahmad Kamumu, Isal Kostiawan Sukamto, Kostiawan Kupang, Sri Revayana Kusrini Kusrini La Alio La Alio La Ode Aman Lukman A. R. Laliyo Lukman A.R. Laliyo Maksum, M. Junaidi Mangara Sihaloho Mardjan Paputungan Masrid Pikoli Mian Kau Monoarfa, Zunarti P Muhamad Abdulkadir Martoprawiro Muhammad Taufiq Nur Najah, Adilla Syahsiyatun Nelpiani Christopel Netty Ino Ischak Netty Ino Ischak Nita Suleman Nur Fadillah Pulukadang Nurhayati Bialangi Opir Rumape Pahrun, Abdul Wahab Patilima, Rusmiyati Ramona Nintias R. Abas Regina Olii Reski Rahmatia Idris Rusmiyati Patilima S. Gani, Melinda Sabihi, Ismail Saleh, Sri Deltalia Salman, Lismawati Saprini Hamdiani Sarmini A Iladat Siti Romla Maspeke Sri Wanti Sappe Subawa, Kadek Suleman Duengo Suryanto Suryanto Tahir, Wawan Triwahyuni S. Umamah Umar, Ahmat Sudir Weny J.A. Musa Weny J.A. Musa Wiwin Rewini Kunusa Wiwiyani, Wiwiyani Yahyu Tanaiyo Yuszda K Salimi Zaenul Wathoni