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Updated: Jun 24, 2026
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Ex Vivo Treatment Response of Primary Tumors and/or Associated Metastases for Preclinical and Clinical Development of Therapeutics
Published on: October 2, 2014
Exploring Bakuchiol as an HSP90-Targeting Lead Against Triple-Negative Breast Cancer: Evidence from In Silico, In
Himisa Shah1, Nancy Tripathi2, Debanjan Thakur3
1B. D. Patel Institute of Allied and Healthcare Sciences, Charotar University of Science and Technology, CHARUSAT Campus, Changa, Anand, Gujarat, 388421, India.
Journal of Computer-Aided Molecular Design
|June 23, 2026
Summary
Bakuchiol, a natural compound from Psoralea corylifolia, shows promise in fighting triple-negative breast cancer (TNBC). It targets heat shock protein 90 (HSP90), inhibiting cancer cell growth and enhancing chemotherapy effectiveness.
Area of Science:
- Phytochemistry
- Molecular Biology
- Oncology
Background:
- Psoralea corylifolia is a traditional herb with medicinal properties.
- Bakuchiol, a key compound, exhibits diverse biological activities.
- Heat shock protein 90 (HSP90) is crucial for cancer cell growth and progression.
Purpose of the Study:
- To investigate bakuchiol's potential against triple-negative breast cancer (TNBC).
- To elucidate HSP90 as a molecular target for bakuchiol's anticancer effects.
Main Methods:
- Combined in-silico (network pharmacology, molecular docking, molecular dynamics simulation), cell-free assays, and in-vitro studies.
- Utilized radicicol as a reference HSP90 inhibitor.
- Assessed synergistic potential using Chou-Talalay and other combination index methods.
Main Results:
- Bakuchiol demonstrated preferential cytotoxicity against MDA-MB-231 TNBC cells, with minimal impact on HEK-293 non-cancerous cells.
- In-silico studies identified HSP90 as a primary target; binding assays confirmed bakuchiol as an N-terminal HSP90 inhibitor.
- Bakuchiol exhibited anti-proliferative, pro-apoptotic, and anti-metastatic effects, downregulating EGFR and upregulating HSP70 expression.
- Synergistic effect observed with doxorubicin, enhancing therapeutic efficacy.
Conclusions:
- Bakuchiol is a promising natural compound targeting HSP90 for TNBC treatment.
- It exhibits favorable selectivity and synergistic potential with chemotherapy.
- Further research is warranted to explore bakuchiol's therapeutic benefits for TNBC.
