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Brian Wasita
Fakultas Kedokteran, Universitas Sebelas Maret
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Computer Science & IT Dentistry Economics, Econometrics & Finance Electrical & Electronics Engineering Engineering Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Medicine & Pharmacology Neuroscience Nursing Public Health

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Journal : Journal of Advanced Technology and Multidiscipline (JATM)

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Pengaruh Fenol dan Saponin pada Madu Hutan Apis Dorsata dan molekul docking pada penanda preeklampsia yusari; Soetrisno; Prayitno, Adi; Wasita, Brian
Journal of Advanced Technology and Multidiscipline Vol. 3 No. 2 (2024): Journal of Advanced Technology and Multidiscipline
Publisher : Faculty of Advanced Technology and Multidiscipline Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jatm.v3i2.60655

Abstract

Molecular docking is an important computational method for drug design. It can be used to predict receptor binding interactions with ligans. In addition, phenol-derived compounds and Saponins are also reported to have various activities such as anti-hypertensive, anti-inflammatory and anti-apoptosis agents. The purpose of this study is to predict whether the Phenol and Saponin compounds are active as anti-inflammatory agents and also to ensure that the binding interactions are stable before and after the docking calculations. The protocol is carried out in accordance with the standards set by the LPPT-UGM Testing Laboratory. The tools, programs, and applications used in this study were Lenovo IdeaPad Flex 5 Processor, AMD Ryzen 5000 Series 5, AutoDock Tools (v1.5.6), Biovia Discovery Studio, AutodockVina, Swiss ADME, VegaZZ, Pubchem, and the and the pkCSM web server (http://biosig.unimelb.edu.au/pkcsm/). Trans-ADFH three-dimensional structure, as a test compound, and Prednisolone, as a standard compound, were downloaded from https://pubchem.ncbi.nlm.nih.gov/. The phytochemical analysis of ADFH includes phenol and saponin. Structure of PlGF 3D (IRV6) and VEGF (4KZN). Identification of ligands and proteins prepared using Pubchem results of molecular docking between preeclampsia through examination of PlGF and VEGF with phenols and saponins Identification of protein ligands using Pubchem, i.e., PlGF (IRV6) with phenol produced 2 interactions and 2 amino acid residues, while saponins produced 2 interactions and 6 residues. pharmacokinetics and toxicity using Swiss ADME, i.e., phenol and saponins are non-mutagenic to bacteria; the maximum safe dose for humans is 0.54 log mg/kg/day; it does not cause toxicity to the heart; the estimated dose for animals is 2.471 mol/kg; it does not cause allergies; it does not cause liver damage; a dose of 0.288 logμ/L can inhibit the growth of 50% of the protozoa T. Pyformis. The content of phenols and saponins in Apis Dorsata forest honey has a high docking score from the original ligand. Molecular docking on phenols and saponins identified PlGF with scores of -2.85, -2.85, and -2.85 kcal/mol, while saponins have +2.84, +2.29, and +2.29 kcal/mol values, which are stated to be better results than the original ligands. This means that phenol has a role as a standard drug that can have an effect on lowering PlGF levels for people with preeclampsia. Molecular docking on VEGF identified phenol with scores of -2.88, -2.88, and -2.88 kcal/mol, and saponins have +1.36, +3.46, and +1.36 kcal/mol values, which are stated to have better results than the original ligands. This means that saponins have a role as a standard drug that can have an effect on increasing VEGF levels for people with preeclampsia.
Co-Authors Adi Magna, Adi Adi Prayitno Agus Kristiyanto Amarduan, Tince Bety Amilia Yuni Damayanti Ana Rima Asrial, An A. Bambang Purwanto Binti Maulina Budiningsih, Fatichati Budiyanti Wiboworini Cindikya Saftiari Dewi Cr. Siti Utari Cr. SitiUtari Darmayani, Aritantri David Perdana Dentiko Wasis Aulia Dewi Okta Anggraini Didik Prasetyo Diffah Hanim Dono Indarto ernawati, ammik Eti Poncorini Pamungkasari Fadila, F Gardjito, Fajar Baskoro Gunawan, Timotheus A. Hari Wujoso Harsono Salimo Hermansyah, Muhamad Lukman Ida Nurwati Idulhaq, Mujaddid Irma Suryani Jati, Agus Kusumaningrum, Sulistyani Laqif, Abdurrahman LAWEI, THARINA Marintan, Elita Muchamad Syamsulhadi, Muchamad Muhammad Riza Muthmainah Nanang Wiyono Nofia, Yasinta Nursulistyo, Fajar Paramasari Dirgahayu Paulus Kusnanto Pesik, Riza N. Poncorini, Eti Pudjiastuti, Anggit puguh santoso, puguh Rachmi Fauziah Rahayu Rahayu, Rachmi F. Rahmah Rahmah Ratih Puspita Febrinasari Reviono Reviono Risya Cilmiaty, Risya Riza Deviana Riza Novierta Pesik Sabariyah, Lely Santi, Nur Saputra, Rhyan Darma Setianto, Budi Y. Soestrisno, Soestrisno Soetrisno Soetrisno Soetrisno Suyatmi Suyatmi Tamaulina Br Sembiring Taufiqurrahman, Surya Tedjo Danudjo Tonang Dwi Ardyanto Tri Nugraha Susilawati Triyanta Yuli Pramana Umi Mahmudah Vitri Widyaningsih Wardhani, Lusi O. Wayanshakty, Janur Wulandari, Eka T. Wulansari, Indry Yarsa, Kristanto Y. Yudhani, Ratih D. Yundari, Yundari yusari Yusup Subagio Yusup Subagio Sutanto Zahidah, Fairuz Zaidah, Lailatuz