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1.
Appl Biochem Biotechnol ; 195(2): 1231-1254, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36342625

RESUMO

Breast cancer is one of the most commonly diagnosed cancers in woman which accounts for more than 1 in 10 new cancers in the entire world. The recently found four new potential hub genes that show a strong expression in breast cancer are CCNA2, CCNB1, MAD2L1, and RAD51. Nowadays, food habits and lifestyle of an individual are one of the factors for causing cancers. Consumption of seeds on a regular basis is the key factor for leading a good health. Sesame seeds and Sunflower seeds are few examples of cancer fighting seeds. Sesame (Sesamum indicum) is one of the earliest oil seed plant with various phytocompounds present which include lignans, tocopherols, phenolics, polyunsaturated fatty acids, and phytosterols. Sunflower (Helianthus annuus L.) is primarily harvested as an oil seed plant with various phytocompounds present which include flavonoids, phenolic acids, tocopherols, and vitamin B3. These are the few seeds that help women to prevent and also to fight against Breast cancer with its potential anti-cancer activity. The main objective of the current study is to identify the potential phytocompounds present in the cancer fighting seeds using molecular docking and dynamic simulation approach which can further help pharmaceuticals industries in producing targeted drugs against breast cancer hub genes as well as food industries in producing products combining the potential phytocompounds present in the seeds.


Assuntos
Neoplasias da Mama , Sesamum , Feminino , Humanos , Neoplasias da Mama/genética , Simulação de Acoplamento Molecular , Tocoferóis/metabolismo , Sementes/química , Fenóis/metabolismo
2.
Appl Biochem Biotechnol ; 194(10): 4836-4851, 2022 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-35666379

RESUMO

Globally, breast cancer is one of the leading invasive cancers in women. Moreover, the use of chemotherapeutic drugs for treating cancer produces toxic side effects and has even led to drug resistance. This research paper focuses on targeting three heat shock proteins belonging to 70 kDa subfamily (HSP70s), predominantly, Mortalin, Binding Immunoglobulin Protein (BiP), and Stress Inducible HSP70 (Stress Inducible Heat Shock Protein 70) involved in breast cancer malignancy using different phytocompounds of onion. Phytocompounds of onion (ligands) obtained from different literature sources and the conventional drug, Tamoxifen (standard ligand), used for treating breast cancer are docked against three HSP70s (target proteins) through molecular docking. Molecular docking helps to determine protein-ligand interactions with minimum binding affinity. A comparative analysis revealed that fourteen phytocompounds of onion have lesser binding affinity and formed more stable complexes with the target proteins compared to that of the conventional drug. This evidence can be used and confirmed further through in vitro (cell culture) and in vivo (animal models) studies, and then, these phytocompounds can be modulated efficiently as potential therapeutics for treating breast cancer with less or nearly no side effects. In Silico work represented here targets three heat shock proteins belonging to 70 kDa subfamily (HSP70s)-Mortalin, Binding Immunoglobulin Protein (BiP), and Stress Inducible HSP70 involved in breast cancer malignancy using different phytocompounds of onion to identify potential phytocompounds that can treat breast cancer with nearly no side effects.


Assuntos
Proteínas de Choque Térmico , Neoplasias , Animais , Feminino , Proteínas de Choque Térmico HSP70/metabolismo , Humanos , Ligantes , Simulação de Acoplamento Molecular , Cebolas/metabolismo , Tamoxifeno
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