Multitarget anticancer activity of curcumin: From docking and ADME-Tox prediction to selective cytotoxicity in triple-negative breast-cancer cells

Arshad, Hanzla; Khan, Saif Ullah; Riaz, Abdul Rehman; Muneeb, Muhammad; Khan Afridi, Muhammad Shahbaz; Saleem, Aneeqa; Khalid, Maryam; Khalid, Memona; Fatima, Noraiz; Tayyab Manzoor, Mirza Muhammad

doi:10.22038/ajp.2026.27351

Multitarget anticancer activity of curcumin: From docking and ADME-Tox prediction to selective cytotoxicity in triple-negative breast-cancer cells

Articles in Press

Document Type : Original Research Article

Authors

Hanzla Arshad ¹

Saif Ullah Khan ²

Abdul Rehman Riaz ³

Muhammad Muneeb ⁴

Muhammad Shahbaz Khan Afridi ⁵

Aneeqa Saleem ⁶

Maryam Khalid ⁷

Memona Khalid ⁸

Noraiz Fatima ⁹

Mirza Muhammad Tayyab Manzoor ⁸

¹ Veterinary Research Institute Zarrar Shaheed Road Lahore Cantt Lahore

² Lecturer, Department of Pharmacy, Minhaj University Lahore

³ Department of Pharmacy, Minhaj University Lahore

⁴ Riphah Institute of Pharmaceutical Sciences, Riphah International University, Lahore Campus

⁵ University College of Pharmacy University Of the Punjab Lahore

⁶ Assistant Professor Pharmaceutical Chemistry, Department of Pharmacy, Minhaj University Lahore

⁷ Punjab University College of Pharmacy, University of the Punjab Lahore, Pakistan

⁸ Punjab University College of Pharmacy, University of the Punjab, Lahore, Pakistan

⁹ M.Phil. Pharmaceutics, department of Pharmaceutics, The Islamia University of Bahawalpur, Punjab, Pakistan

10.22038/ajp.2026.27351

Abstract

Objectives: To evaluate the anticancer potential of curcumin from Curcuma longa in triple negative breast cancer using docking, prediction, and cell assays.
Materials and Methods: Docking tested binding to estrogen receptor alpha, human epidermal growth factor receptor 2, and inhibitor of nuclear factor kappa B kinase subunit beta. Pharmacokinetic behaviour and organ toxicity were estimated using online tools. Cancer and non-tumorigenic mammary epithelial cell lines were exposed to curcumin. Viability was measured by the methylthiazolyldiphenyl tetrazolium assay. Apoptosis, nuclear damage, and oxidative stress were assessed by fluorescence staining and dichlorodihydrofluorescein diacetate assay. Transcript changes were measured by quantitative reverse transcription polymerase chain reaction.
Results: Curcumin showed strongest docking to inhibitor of nuclear factor kappa B kinase subunit beta (minus 8.3 kilocalories per mole) and predicted high gastrointestinal absorption with potential drug interaction risk. Predictions suggested inhibition of drug metabolizing enzymes and moderate kidney and heart risk. Curcumin reduced cancer cell viability with a half maximal inhibitory concentration of 2.22 micrograms per milliliter, while the epithelial cell line remained viable above 50 micrograms per milliliter. Assays confirmed apoptosis with reactive oxygen species elevation, suppression of nuclear factor kappa B signaling, activation of pro-apoptotic and antioxidant responses, and reduced epithelial to mesenchymal transition signatures.
Conclusion: Curcumin shows selective, multitarget activity in triple negative breast cancer cells, supporting formulation strategies and animal validation.

Keywords

Curcumin

Breast cancer

Molecular docking

Apoptosis

Pharmacokinetics

Reactive oxygen species

Subjects