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All Journal Indonesian Journal of Pharmaceutical Science and Technology E-Dimas: Jurnal Pengabdian kepada Masyarakat Jurnal Kesehatan Bakti Tunas Husada JSKK (Jurnal Sains Keolahragaan dan Kesehatan) Journal of Pharmacopolium JURNAL PengaMAS Jurnal Kreativitas PKM FITOFARMAKA: Jurnal Ilmiah Farmasi Jurnal Ilmu Kefarmasian Indonesia To Maega: Jurnal Pengabdian Masyarakat Pharmacoscript Pharma Xplore : Jurnal Sains dan Ilmu Farmasi Abdimas Galuh : Jurnal Pengabdian Kepada Masyarakat Jurnal Mandala Pengabdian Masyarakat Journal Of Human And Education (JAHE) J-ABDIPAMAS (Jurnal Pengabdian Kepada Masyarakat) Journal of Information System, Technology and Engineering Journal of Innovative and Creativity Jurnal Kesehatan Bakti Tunas Husada World Health Digital Journal (wolgitj)
Saeful Amin
Universitas Bakti Tunas Husada
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemistry Computer Science & IT Economics, Econometrics & Finance Education Health Professions Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Public Health Social Sciences Veterinary Other

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Journal : Journal of Information System, Technology and Engineering

 1 
Bioinformatics Study: Molecular Docking of Cat Whiskers Flavonoid Compounds for the Development of Antidiabetic Candidates Saeful Amin; Febia Citraeni Rusdaita; Riska Prasetiawati
Journal of Information System, Technology and Engineering Vol. 2 No. 4 (2024): JISTE
Publisher : Yayasan Gema Bina Nusantara

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.61487/jiste.v2i4.112

Abstract

Diabetes mellitus is a chronic disease characterized by hyperglycemia. In silico studies have been done on flavonoid derivative compounds from the cat's whiskers plant (Orthosiphon stamineus Benth.) on protein tyrosine phosphatase 1B (2F70) and aldose reductase enzymes (4YVP and 4YVX) to see if they can be used as diabetes medicines. The molecular docking of the test compounds found three that were more active than the comparison ligands. One of these was the luteolin compound, which can stop the Protein Tyrosine Phosphatase 1B receptor from working with an ∆G value of -8.05 kcal/mol and a Ki value of 1.25 µM by forming amino acid residues. SER A: 216, ARG A: 221, ALA A: 217, VAL A: 490, TYR A: 46, and ASP A: 181 show that the sinensetin compound can stop the aldose reductase enzyme from working, working with a ∆G value of -7.72 kcal/mol and a Ki value of 2.19 µM to form amino acid residues. ALA B: 25, GLU B: 224, LEU B: 54, HIS B: 222, TRP B: 227, and the 6-hydroxy-5,7,4'-trimethoxyflavone compound can stop the aldose reductase enzyme from working (∆G value of -7.02 kcal/mol, Ki 7.14 µM), which creates amino acid residues. HIS B:117, TYR B:55, SER B:217, PHE B:306. Based on the analysis of these compounds, they exhibit good physicochemical and pharmacokinetic profiles. Additionally, the toxicity analysis confirms that none of these compounds are mutagenic, carcinogenic, or harmful to humans.
Co-Authors Ade Yeni A Ade Yeni Aprilia Agneiva Hasna Nabilah Alda Nur Arifin AlifiaFauziah Andri Prasetiyo Andriani, Yeni Yulia Aneu Nia Rolita Pasa Anindita Tri Kusuma Pratita Anindita Tri Kusuma Pratita Anindita Tri Kusuma Pratita Anisa Pebiansyah Anna Yuliana, Anna Annisa Pebiansyah Citra Dewi Salasanti Diana Sri Zustika Eulis Nurcahya Fadhilah Utami Fatwa Hasbi Febia Citraeni Rusdaita Fitriani Fitriani Ghefira Agisha Nurazizah Gunarti, Neni Sri Hendy Suhendy Heppi Syofya, Heppi Ilham Alifiar Ilham Alifiar Ilham Alifiar indra indra Indra, Indra Ira Rahmiyani Ira Rahmiyani Julian Rahmat Kushariyadi Kushariyadi Lilis Tuslinah Loso Judijanto Lusi Nurdianti M. Faturohman M. Isa Anshori Maharani Febriani Melan Nuriyatus Sa’diyah Mochamad Fathurahman Mochamad Fathurohman Muharam Priatna Muharam Priatna Mursadad, Amir Najelina Shifa Nasswa Kautsar Ramadani Nazwa Nurfauzia Helma Neneng Reva Nur Laili Dwi Hidayati Nur Rahayuningsih Nur Rahayuningsih, Nur Regita Pramesti Resha Resmawati Shaleha Riesna Apramilda Rinovian Rais Riska Prasetiawati Risna Rosmiyati Rosi Rosidah Ruswanto, Ruswanto Salsabila Adlina Selvira Anandia Intan Maulidya Slamet Ibrahim Slamet Ibrahim Slamet Ibrahim Soegeng Wahyoedi Sophi Damayanti Sophi Damayanti Taufik Hidayat Tita Nofianti Tita Nofianti Tita Nofianti Tita Nofianti Tresna Lestari, Tresna Vera Nurviana Yesita Yumna Nabila Yunisa Khaerina Zain, Dichy Nuryadin