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    A Study on Recognizing the Value of Chestnut (Castanea sativa) Blossom Waste
    (Ankara Univ, Fac Agriculture, 2024) Sahin, Huseyin; Kolayli, Sevgi; Kara, Yakup; Can, Zehra; Guler, Halil Ibrahim; Ozkok, Asli; Serdar, Umit
    Chestnut (Castanea sativa) blossoms are natural resources that are not put to economic use. They are completely mixed with soil as waste. Thus, this extensive study was designed and remarkable results were found showing the potential usefulness of chestnut blossoms. In addition to the phenolic capacity and antioxidant capacity of the aqueous and ethanolic extracts of dried chestnut flowers, the anti-urease activity of these extracts was studied to demonstrate their therapeutic value. The binding interaction of phenolic substances present in chestnut blossom with urease was shown using molecular docking research. The aqueous extract, with most effect, had total phenolic content of 46.67 +/- 0.37 mg GAE/g and total flavonoid content of 6.14 +/- 0.40 mg QUE/g. The antioxidant activity was determined by FRAP (648.47 +/- 5.27 mu mol FeSO4.7H2O/g for aqueous extract and 347.53 +/- 2.09 mu mol FeSO4.7H2O/g for ethanolic extract) and DPPH (0.05 +/- 0.01 mg/mL for SC50 of aqueous extract and 0.11 +/- 0.01 mg/mL for SC50 of ethanolic extract) assays, and rutin was found to be the dominant phenolic compound according to HPLC. IC50 values for urease in aqueous and ethanolic extracts were 2.55 +/- 0.09 mg/mL and 4.57 +/- 0.24 mg/mL, respectively. According to the docking experiments, which were important to support the hypothesis of anti-urease activity, myricetin and luteolin showed different and effective bonding degrees to the target protein when compared with the reference molecule acetohydroxamic acid. In summary, chestnut flowers are rich in phenolic compounds which are responsible for a wide range of biological activities including antioxidant features and urease inhibition. These blossoms could be evaluated as potentially important raw materials for food.
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    Synthesis of Arylsulfonyl Hydrazone Derivatives: Antioxidant Activity, Acetylcholinesterase Inhibition Properties, and Molecular Docking Study
    (Wiley-V C H Verlag Gmbh, 2023) Demirci, Yasin; Kalay, Erbay; Kara, Yakup; Guler, Halil Ibrahim; Can, Zehra; Sahin, Engin
    In this current paper, fifteen novel sulfonyl hydrazone derivatives have been successfully synthesized and evaluated for antioxidant activity as well as their effects on inhibitory activity toward acetylcholinesterase (AChE). By using H-1 NMR, C-13 NMR, FT-IR, and high-resolution mass spectrometry methods, the full characterization data of the novel compounds were obtained. The synthesized compounds capacity to inhibition glucosidase and exhibit antioxidant activity were tested in vitro. It was determined that compounds (E)-4-((2-((4-chlorophenyl)sulfonyl)hydrazone)methyl)-2-methoxyphenylfuran-2-carboxylate (21), (E)-2-methoxy-4-((2-(phenylsulfonyl)hydrazone)methyl)phenylfuran-2-carboxylate (17) and (E)-4-((2-((4-bromophenyl)sulfonyl)hydrazone)methyl)-2-methoxyphenylfuran-2-carboxylate (25) showed good antioxidant activity. Upon examining the acetylcholinesterase inhibitory activity, it was determined that compounds (E)-2-methoxy-4-((2-((4-methoxyphenyl)sulfonyl) hydrazone)methyl)phenylacetate (27) (10.39 & mu;M), (E)-4-((2-((4-chloro phenyl)sulfonyl) hydrazone)methyl)-2-methoxyphenylfuran-2-carboxylate (21) (10.81 & mu;M), (E)-4-((2-((4-chloro phenyl)sulfonyl)hydrazone)methyl)-2-methoxyphenyl thiophene-2-carboxylate (22) (12.92 & mu;M) and (E)-2-methoxy-4-((2-(phenylsulfonyl)hydrazone)methyl)phenylfuran-2-carboxylate (17) (12.93 & mu;M) showed potent inhibitory effects. Molecular docking simulations were used to investigate the interactions of novel sulfonyl hydrazone derivatives with human acetylcholinesterase protein. The ligands exhibited strong binding to the receptor protein with potent inhibition.
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    Targeting CoV-2 spike RBD and ACE-2 interaction with flavonoids of Anatolian propolis by in silico and in vitro studies in terms of possible COVID-19 therapeutics
    (Tubitak Scientific & Technological Research Council Turkey, 2021) Guler, Halil Ibrahim; Sal, Fulya A. Y.; Can, Zehra; Kara, Yakup; Yildiz, Oktay; Belduz, Ali Osman; Canakci, Sabriye
    Propolis is a multi-functional bee product rich in polyphenols. In this study, the inhibitory effect of Anatolian propolis against SARS-coronavirus-2 (SARS-CoV-2) was investigated in vitro and in silico. Raw and commercial propolis samples were used, and both samples were found to be rich in caffeic acid, p-coumaric acid, ferulic acid, t-cinnamic acid, hesperetin, chrysin, pinocembrin, and caffeic acid phenethyl ester (CAPE) at HPLC-UV analysis. Ethanolic propolis extracts (EPE) were used in the ELISA screening test against the spike S1 protein (SARS-CoV-2): ACE-2 interaction for in vitro study. The binding energy values of these polyphenols to the SARS-CoV-2 spike and ACE-2 protein were calculated separately with a molecular docking study using the AutoDock 4.2.6 program. In addition, the pharmacokinetics and drug-likeness properties of these eight polyphenols were calculated according to the SwissADME tool. The binding energy value of pinocembrin was highest in both receptors, followed by chrysin, CAPE, and hesperetin. Based on the in silico modeling and ADME (absorption, distribution, metabolism, and excretion) behaviors of the eight polyphenols, the compounds exhibited the potential ability to act effectively as novel drugs. The findings of both studies showed that propolis has a high inhibitory potential against the Covid-19 virus. However, further studies are now needed.