In Vitro and in Silico Cytotoxic and Antibacterial Activities of a Diterpene from Cousinia alata Schrenk
Zhanzhaxina A. Suleimen Y. Metwaly A.M. Eissa I.H. Elkaeed E.B. Suleimen R. Ishmuratova M. Akatan K. Luyten W.
2021Hindawi Limited
Journal of Chemistry
2021#2021
A biologically guided isolation of secondary metabolites from Cousinia alata Schrenk wild plant growing in Akmola region, Kazakhstan, led to the isolation of the bioactive diterpene grindelic acid (1). Six flavonoids were also isolated and identified as retusine (2), pachipodol (3), jaranol (4), penduletin (5), casticin (6), and 5, 7, 3′-trihydroxy-3, 4′-dimethoxyflavone (7). Penduletin (5) showed moderate cytotoxic activity assay. Grindelic acid exhibited promising cytotoxic activity against the Artemia salina nauplii and antibacterial activity against Staphylococcus aureus, Bacillus cereus, and Salmonella enteritidis. The presence of the essential pharmacophoric features of histone deacetylase (HDAC) inhibitors in the structure of grindelic acid encouraged us to run a molecular docking study against the HDAC enzyme to understand its mechanism of action on a molecular level. Grindelic acid showed a binding mode of interaction similar to that of the cocrystallized ligand and exhibited good binding affinity against HDAC with the binding free energy of -18.70 kcal/mol. The structures of isolated compounds were determined by MS, 1D, and 2D NMR spectroscopy methods. Compounds (1-7) were isolated for the first time from Cousinia genus.
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L.N. Gumilyov Eurasian National University, Nur-Sultan, Kazakhstan
S. Seifullin Kazakh Agro Technical University, Nur-Sultan, Kazakhstan
Sh. Ualikhanov Kokshetau University, Kokshetau, Kazakhstan
Pharmacognosy and Medicinal Plants Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt
Pharmaceutical Medicinal Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo, Egypt
Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Ad Diriyah, Riyadh, 13713, Saudi Arabia
E.A. Buketov Karaganda University, Karaganda, Kazakhstan
S. Amanzholov East Kazakhstan State University, Oskemen, Kazakhstan
Department of Biology, Katholieke Universiteit Leuven, Leuven, 3000, Belgium
L.N. Gumilyov Eurasian National University
S. Seifullin Kazakh Agro Technical University
Sh. Ualikhanov Kokshetau University
Pharmacognosy and Medicinal Plants Department
Pharmaceutical Medicinal Chemistry Department
Department of Pharmaceutical Sciences
E.A. Buketov Karaganda University
S. Amanzholov East Kazakhstan State University
Department of Biology
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