Carbonic Anhydrase and Urease Inhibitory Potential of Various Plant Phenolics Using in vitro and in silico Methods |
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| Authors: | Abdur Rauf Muslim Raza Muhammad Saleem Ufuk Ozgen Esen Sezen Karaoglan Gulin Renda Erhan Palaska Ilkay Erdogan Orhan |
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| Affiliation: | 1. Department of Chemistry, University of Swabi, Anbar, Khyber Pakhtunkhwa, Pakistan;2. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Chao Yang District, Beijing, P. R. China;3. Department of Chemistry, University of Education Lahore, Campus Dera Ghazi Khan, Punjab, Pakistan;4. Department of Pharmacognosy, Faculty of Pharmacy, Karadeniz Technical University, Trabzon, Turkey;5. Department of Pharmaceutical Botany, Faculty of Pharmacy, Atatürk University, Erzurum, Turkey;6. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Hacettepe University, Ankara, Turkey;7. Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, Ankara, Turkey |
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| Abstract: | Plant phenolics are known to display many pharmacological activities. In the current study, eight phenolic compounds, e.g., luteolin 5‐O‐β‐glucoside ( 1 ), methyl rosmarinate ( 2 ), apigenin ( 3 ), vicenin 2 ( 4 ), lithospermic acid ( 5 ), soyasaponin II ( 6 ), rubiadin 3‐O‐β‐primeveroside ( 7 ), and 4‐(β‐d ‐glucopyranosyloxy)benzyl 3,4‐dihydroxybenzoate ( 8 ), isolated from various plant species were tested at 0.2 mm against carbonic anhydrase‐II (CA‐II) and urease using microtiter assays. Urease inhibition rate for compounds 1 – 8 ranged between 5.0 – 41.7%, while only compounds 1 , 2 , and 4 showed a considerable inhibition over 50% against CA‐II with the IC50 values of 73.5 ± 1.05, 39.5 ± 1.14, and 104.5 ± 2.50 μm , respectively, where IC50 of the reference (acetazolamide) was 21.0 ± 0.12 μm . In silico experiments were also performed through two docking softwares (Autodock Vina and i‐GEMDOCK) in order to find out interactions between the compounds and CA‐II. Actually, compounds 6 (30.0%) and 7 (42.0%) possessed a better binding capability toward the active site of CA‐II. According to our results obtained in this study, among the phenolic compounds screened, particularly 1 , 2 , and 4 appear to be the promising inhibitors of CA‐II and may be further investigated as possible leads for diuretic, anti‐glaucoma, and antiepileptic agents. |
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| Keywords: | Phenolics Carbonic anhydrase Urease Enzyme inhibition Molecular docking |
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