Aromatase (CYP19A1) Inhibitory Activity of Coltsfoot (Tussilago farfara L.) Phytochemicals: In Vitro and in Silico Evaluation
Ahmad I. Atif M. Aldibekova G. Balpanova D. Zafar H. Sadia M. Ahmad M. Atia-tul-Wahab Kudaibergenova B. Choudhary M.I.
December 2025Institute of Combustion Problems, al-Farabi Kazakh State National University
Eurasian Chemico-Technological Journal
2025#27Issue 4315 - 321 pp.
Estrogen plays a critical role in the development and progression of hormone-sensitive breast cancer. Aromatase (CYP19A1), the key enzyme catalyzing the final step in estrogen biosynthesis, has emerged as a promising therapeutic target. Although third-generation synthetic aromatase inhibitors (AIs) are effective, their use is limited by serious side effects, highlighting the need for safer natural alternatives. In this study, we evaluated three major flavonoids from Tussilago farfara L., quercetin-3-rutinoside (1), quercetin-3-O—P—D—glucoside (2), and kaempferol-3-O-glucoside (3) for aromatase inhibitory potential. In vitro assays showed that compound 3 was the most potent (IC50 = 3.46 rM), followed by compound 2 (3.79 rM) and compound 1 (3.81 rM), with activities comparable to potent dietary flavonoids and stronger than some reported natural analogues. Molecular docking supported these findings, showing favourable docking scores (—6.73 to —4.19) and binding energies (—60.3 to —43.7 kcal mol—1), comparable to those of the standard inhibitor exemestane (IC50 = 0.20 RM; —68.3 kcal mol—1). However, the computational predictions did not fully replicate the experimental ranking, reflecting the limitations of docking methods. Overall, these results highlight the significance and therapeutic potential of T. farfara flavonoids as natural aromatase inhibitors.
Anticancer Aromatase Natural products Molecular docking Exemestane
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Al-Farabi Kazakh National University, Almaty, 050040, Kazakhstan
Department of Chemistry, University of Malakand, Chakdara, Lower Dir, 18800, Pakistan
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, 75270, Pakistan
School of Pharmacy, S.D. Asfendiyarov Kazakh National Medical University, Almaty, 050000, Kazakhstan
Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, 75270, Pakistan
Department of Higher Education Khyber Pakhtunkhwa, Govt, College Wari Upper Dir, 18200, Pakistan
Al-Farabi Kazakh National University
Department of Chemistry
H.E.J. Research Institute of Chemistry
School of Pharmacy
Dr. Panjwani Center for Molecular Medicine and Drug Research
Department of Higher Education Khyber Pakhtunkhwa
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