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Phytochemical and Biomedical Analysis of β-cyclocitral Extracted from Gallium mite (Medicinal Herb), and its Effects on Breast Cancer Targeted Proteins | ||
| Journal of Medicinal plants and By-Products | ||
| مقالات آماده انتشار، پذیرفته شده، انتشار آنلاین از تاریخ 24 شهریور 1403 اصل مقاله (1.03 M) | ||
| نوع مقاله: Research Paper | ||
| شناسه دیجیتال (DOI): 10.22034/jmpb.2024.366588.1732 | ||
| نویسندگان | ||
| Alireza Shabani1؛ Mohammad Zaefizadeh* 2؛ Mohsen Farhadpour1؛ Zahra soheila soheili1؛ Kasra Esfahani* 1 | ||
| 1Departmentof Plant Molecular Biotechnology, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, 1497716316, Iran | ||
| 2Department of Biology, Ardabil Branch, Islamic Azad University, Ardabil, 5615731567, Iran | ||
| چکیده | ||
| Molecular docking PyRx software coupled with gas chromatography/mass spectrometry (GC-MS) was used to identify predicted proteins which were targeted by β-cyclocitral derived from Gallium mite var. reseum. Twenty-four phytochemical compounds were detected using the GC-MS technique. Physiochemical qualities of β-cyclocitral were done using Pubchem database. Pharmaceutical and pharmacokinetic properties of the extracted β-cyclocitral were evaluated using SwissADME and GeneCards databases. One hundred entries were determined in this query. Molecular docking properties were implemented using PyRx software. Results indicated that twenty-two of these entries were predicted to be candidate as target proteins in breast cancer treatment. Catepsin k, Andregone receptor, Alcohol dehydrogenase alpha chain, Cytochrome P450 17A1 and Prostaglandin E synthase with binding affinity of 6.5, 6.2, 6, 5.7, and 5.7kcal/mol, exhibited the highest binding affinity with target proteins respectively. The project results revealed that β-cyclocitral could be used as a ligand in targeting proteins evolved in breast cancer. | ||
| کلیدواژه‌ها | ||
| Breast cancer؛ Gallium mite؛ B-cyclocitral؛ Molecular docking | ||
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آمار تعداد مشاهده مقاله: 110 تعداد دریافت فایل اصل مقاله: 79 |
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