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Journal of Medicinal Plants and By-products، جلد ۱۴، شماره ۳، صفحات ۲۳۸-۲۴۴
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عنوان انگلیسی Phytochemical and Biomedical Analysis of β-cyclocitral Extracted from Galium mite (Medicinal Herb), and its Effects on Breast Cancer Targeted Proteins
چکیده انگلیسی مقاله 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 Galium mite var. roseum Ghahr. 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.
کلیدواژه‌های انگلیسی مقاله Breast cancer,Galium mite,B-cyclocitral,Molecular Docking
نویسندگان مقاله Alireza Shabani |
Departmentof Plant Molecular Biotechnology, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, Iran

Mohammad Zaefizadeh |
Department of Biology, Ardabil Branch, Islamic Azad University, Ardabil, Iran

Mohsen Farhadpour |
Departmentof Plant Molecular Biotechnology, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, Iran

Zahra Soheila SSoheili |
Molecular Medicine Department, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, Iran

Kasra Esfahani |
Departmentof Plant Molecular Biotechnology, National Institute of Genetic Engineering and Biotechnology (NIGEB), Tehran, Iran

نشانی اینترنتی https://jmpb.areeo.ac.ir/article_131912_a38700819777300882142a756b1cf696.pdf
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