Caffeoylquinic acid derivatives isolated from Tussilago farfara L. as potential anti-leishmanial agents; in vitro and in silico studies
Ahmad I. Hafez-Ghoran S. Yousuf M. Zafar H. Wahab A.-T. Yousuf S. Ahmad M. Gul I. Kudaibergenova B. Choudhary M.I.
2026Taylor and Francis Ltd.
Natural Product Research
2026
Leishmaniasis affects millions of people in tropical and subtropical regions. Currently, only a few medications are available for its treatment, many of which cause adverse effects. Therefore, the development of effective, and safer drugs is urgently needed. Leishmania major Pteridine reductase-1 (LmPTR-1) is a vital enzyme for parasite survival, and thus serves as a valid drug target. Our investigation on the ethanolic extract of Tussilago farfara L. resulted in the isolation of twenty known phenolic compounds 1–20. Among them, vanillic acid (1), 1S,3R,4R,5R)-3,5-di-O-caffeoylquinic acid (14), and 3,4,5-tri-O-caffeoylquinic acid methyl ester (20) are first time reported here. Compounds (1S,3R,4S,5R)-3,5-di-O-caffeoylquinic acid (15), 3,4-di-O-caffeoylquinic acid (16), 4,5-di-O-caffeoylquinic acid (17), and 3,4-di-O-caffeoylquinic acid methyl ester (18) exhibited LmPTR-1 inhibition with IC50 between 81.9–189.7 μΜ. In silico studies further revealed strong interactions between compounds 15–18, and LmPTR-1 enzyme. In summary, quinic acid derivatives, containing caffeoyl moieties can serve as potential as anti-leishmanial agents.
Asteraceae , Caffeoylquinic acid derivatives , Leishmania major pteridine reductase-1 , Molecular dynamic simulation , Tussilago farfara L
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Department of Chemistry and Chemical Technology, Al-Farabi Kazakh National University, Almaty, Kazakhstan
Department of Chemistry, University of Malakand, Chakdara, Pakistan
H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan
Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan
Institute of Molecular Biology and Biochemistry, The University of Lahore, Lahore, Pakistan
Department of Higher Education, Govt, College Wari, Upper Dir, Pakistan
Institute of Chemical Sciences, University of Peshawar, Peshawar, Pakistan
Department of Chemistry and Chemical Technology
Department of Chemistry
H.E.J. Research Institute of Chemistry
Dr. Panjwani Center for Molecular Medicine and Drug Research
Institute of Molecular Biology and Biochemistry
Department of Higher Education
Institute of Chemical Sciences
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