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All Journal Jurnal Farmasi Klinik Indonesia Majalah Obat Tradisional Jurnal Inovasi Hasil Pengabdian Masyarakat (JIPEMAS) Jurnal Aisyah : Jurnal Ilmu Kesehatan Science Midwifery Journal of Health Sciences and Medicine Jurnal Ilmiah Medicamento Jurnal Farmasi Indonesia Usadha
Ketut Agus Adrianta
Universitas Mahasaraswati Denpasar
Agriculture, Biological Sciences & Forestry Dentistry Health Professions Immunology & microbiology Medicine & Pharmacology Nursing Public Health Veterinary Other

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Journal : Jurnal Aisyah : Jurnal Ilmu Kesehatan

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Molecular docking activity of peristrophe bivalvis on non small cell lung cancer Santoso, Puguh; Adrianta, Ketut Agus; Wibawa, Agung Ari Chandra; Gunawan, I Wayan Suardi Adi
Jurnal Aisyah : Jurnal Ilmu Kesehatan Vol 8, No 2: June 2023
Publisher : Universitas Aisyah Pringsewu

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1505.7 KB) | DOI: 10.30604/jika.v8i2.1935

Abstract

Cancer is a genetic disease in which cells are unable to control their functions normally. As cancer develops, old cells will survive when they should die, and new cells will grow when they are not needed. These extra cells can divide endlessly and can form growths called tumors . This research was carried out to know whether peristrophine, apioside, and pelargonidin 3-Sambubioside compounds could be developed as a drug in Non-Small Cell Lung Cancer (NSCLC) with the in silico method at the ROS1 receptor with the Protein Data Bank code 3ZBF with the native ligand crizotinib. Peristrophine, apioside, and pelargonidin 3-Sambubioside compounds have an affinity for ROS1 protein with binding energies of -6.12 kcal/mol on peristrophine, -6.74 kcal/mol on apioside, and -7.54 kcal/mol of pelargonidin 3-Sambubioside. Peristrophine, apioside, and pelargonidin 3-Sambubioside have a molecular mechanism in inhibiting ROS1 in Non-Small Cell Lung Cancer (NSCLC) through the formation of hydrogen bonds in the protein ROS1. From Lipinski's analysis, the peristrophine test compound has met the requirements and seen from the LD50 value of the peristrophine test compound, apioside and pelargonidin 3-Sambubioside has the same toxicity class as the comparison compound, namely crizotinib at class 4 toxicity.
Co-Authors Agung Ari Chandra Wibawa Bagus Komang Satriyasa Debby Juliadi Desak Made Wihandani Dewa Ayu Ika Pramitha Fitria Megawati Gamaliel Agripa Gunawan, I Wayan Suardi Adi Herleeyana Meriyani I Gede Made Suradnyana I Gusti Agung Ayu Kusuma Wardani I Gusti Agung Ayu Kusuma Wardani I Made Jawi I Nyoman Gede Tri Sutrisna I Putu Windra Gunawan IGAA Kusuma Wardani Meriyani, Herleeyana Ni Nyoman Wahyu Udayani Ni Putu Siska Sugiantari Ni Putu Udayana Antari Puguh Santoso Puguh Santoso puguh santoso, puguh Putra, I Made Agus Sunadi Suena, Ni Made Dharma Shantini Veryanti, Putu Rika Wardani, I Gusti Agung Ayu Kusuma Yeni Cendana