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Phytocompounds of Onion Target Heat Shock Proteins (HSP70s) to Control Breast Cancer Malignancy
Karunya Jenin Ravindranath1, Noorul Samsoon Maharifa Haja Mohaideen1, Hemalatha Srinivasan2
1School of Life Sciences, B. S. Abdur Rahman Crescent Institute of Science & Technology, Vandalur, Chennai, 600048, India.
Abstract:
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.
Insights
Onion phytocompounds show potential as breast cancer therapeutics by targeting heat shock proteins (HSP70s). These compounds exhibit lower binding affinity than Tamoxifen, suggesting fewer side effects.
Area of Science:
- Biochemistry
- Pharmacology
- Computational Biology
Background:
- Breast cancer is a leading invasive cancer in women globally.
- Current chemotherapies cause toxic side effects and drug resistance.
- Heat shock proteins (HSP70s) are implicated in breast cancer malignancy.
Purpose of the Study:
- To investigate onion phytocompounds as potential therapeutics for breast cancer.
- To target specific HSP70s (Mortalin, BiP, Stress Inducible HSP70) involved in breast cancer.
- To identify phytocompounds with favorable binding affinities compared to Tamoxifen.
Main Methods:
- In silico molecular docking of onion phytocompounds against target HSP70 proteins.
- Comparison of binding affinities between phytocompounds and Tamoxifen.
- Analysis of protein-ligand interactions and complex stability.
Main Results:
- Fourteen onion phytocompounds demonstrated lower binding affinity to target HSP70s than Tamoxifen.
- These phytocompounds formed more stable complexes with Mortalin, BiP, and Stress Inducible HSP70.
- The study identified potential therapeutic candidates from onion extracts.
Conclusions:
- Onion phytocompounds show promise for developing novel breast cancer therapeutics.
- These compounds may offer a safer alternative with reduced side effects.
- Further in vitro and in vivo studies are warranted to validate these findings.
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