Drug-protein binding mechanism of juglone for early pharmacokinetic profiling: Insights from ultrafiltration, multi-spectroscopic and molecular docking methods

Zhao, Peng; Gao, Guihua; Zhang, Lianjun; Cai, Qianqian; Lü, Nan; Li, Cheng; Li, Shuaikang; Hou, Xiaohong

doi:10.1016/j.jpba.2017.03.036

Cited by 28 publications

(14 citation statements)

References 33 publications

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“…According to some relevant literature, we can see that the green walnut husk extracts contain a battery of bioactive compounds of different chemical types, including flavonoids, naphthoquinones, diarylheptanoids, triterpenes, phenol acid, sterol, and lipid substances. Juglone (5-hydroxy-1,4-naphthoquinone) is a chemical present, as one of the major bioactive components present in the bark of the green walnut husk, exhibits versatile bioactivities, especially anti-cancer activity [29]. In the present study, the main components of organic extracts of the green walnut husk extracts were Juglone.…”

Section: Discussionmentioning

confidence: 68%

Green walnut husk extracts Proliferation and Migration in Gastric Cancer

Zhang¹,

Zhang²,

Zhao³

et al. 2022

J. Cancer

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Background: In the past few decades, natural products have become an increasingly important source of potential anti-cancer agents. The green walnut husk(GWH) extracts have been reported to inhibit multiple tumor cells and might be a promising chemopreventive agent in human neoplasia. However, it is not clear whether GWH extracts inhibit gastric cancer. Methods: Proliferation, invasion, and migration of gastric cancer cells were assessed by the CCK-8, wound-healing, and Transwell assay. The apoptotic rate was detected by flow cytometry(FCM). The expressions of Bcl-2, Bax, and Caspase-3 proteins were examined by Western blot. Moreover, the growth of gastric cancer cells was assessed using orthotopic xenograft models, and related proteins expressions were evaluated using immunohistochemistry. Finally, the Gene expression profile of gastric cancer treated with GWH extracts was evaluated by using High-throughput RNA sequencing(RNA-seq). Results: GWH extracts effectively inhibited gastric cancer cell growth in vitro and in vivo. In vivo, GWH extracts inhibited the survival of gastric cancer cells in a dose and time-dependent manner, inhibited the migration and invasion of gastric cancer cells, regulated the expressions of apoptosis-related proteins, and induced apoptosis of gastric cancer cells. In vitro, GWH extracts inhibited the growth of mouse xenografted tumors. A total of differentially expressed genes, of which 41 genes were up-regulated, and 610 genes were down-regulated, were identified by RNA-seq. GO, and KEGG analysis showed that these differentially expressed genes might be related to the mechanism of the anti-gastric cancer effect of GWH extracts. Conclusion:GWH extracts played an anti-gastric cancer effect by inducing apoptosis and inhibiting invasion. Secondly, the differential expression of many genes, multiple signal pathways, and metabolic pathways in gastric cancer play an essential role in the anti-gastric cancer effect of GWH extracts. The results suggested that GWH extracts are expected to be a low toxic drug for the treatment of gastric cancer in the future.

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Section: Discussionmentioning

confidence: 68%

Green walnut husk extracts Proliferation and Migration in Gastric Cancer

Zhang¹,

Zhang²,

Zhao³

et al. 2022

J. Cancer

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“…CD is a widely used means to study the conformational changes of HSA and to determine the number of α-helices [ 42 ]. HSA has two obvious negative characteristic peaks around 208 nm and 222 nm, which are typical of the α-helix structure, and these two peaks are contributed by π−π * and n−π * of α-helical peptide bonds, respectively [ 43 ].…”

Section: Resultsmentioning

confidence: 99%

Molecular Insight into the Binding of Astilbin with Human Serum Albumin and Its Effect on Antioxidant Characteristics of Astilbin

et al. 2022

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Astilbin is a dihydroflavonol glycoside identified in many natural plants and functional food with promising biological activities which is used as an antioxidant in the pharmaceutical and food fields. This work investigated the interaction between astilbin and human serum albumin (HSA) and their effects on the antioxidant activity of astilbin by multi-spectroscopic and molecular modeling studies. The experimental results show that astilbin quenches the fluorescence emission of HSA through a static quenching mechanism. Astilbin and HSA prefer to bind at the Site Ⅰ position, which is mainly maintained by electrostatic force, hydrophobic and hydrogen bonding interactions. Multi-spectroscopic and MD results indicate that the secondary structure of HSA could be changed because of the interaction of astilbin with HSA. DPPH radical scavenging assay shows that the presence of HSA reduces the antioxidant capacity of astilbin. The explication of astilbin–HSA binding mechanism will provide insights into clinical use and resource development of astilbin in food and pharmaceutical industries.

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“…PPBR using the UF device was calculated as described by Zhao et al (2017):

PPBR = (\frac{C_{P} ‐ C_{UF}}{{normalC}_{normalP}}) \times 100 %

Where C P is the DC’s concentration in the animal plasma and C UF is the DC’s concentration in the filtrate.…”

Section: Methodsmentioning

confidence: 99%

“…where C 1 is the DC's concentration in the initial physiological saline and C 2 is the DC's concentration in the filtrate. PPBR using the UF device was calculated as described by Zhao et al (2017):…”

Section: Calculation Of Nsb Ppbr and The Concentration Of Free-drugmentioning

confidence: 99%

Determination of doxycycline’s plasma protein binding rates in the plasma of grass carp ( Ctenopharyngodon idella ), yellow catfish ( Pelteobagrus fulvidraco ) and crayfish ( Procambarus clarkii ) by an ultrafiltration method at different temperatures with different concentrations

Sun

Chang

et al. 2022

Aquaculture Research

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The objective of this study was to compare the plasma protein binding rates (PPBRs) of doxycycline (DC) in the plasma of grass carp (Ctenopharyngodon idella), yellow catfish (Pelteobagrus fulvidraco) and crayfish (Procambarus clarkii) at different temperatures (4, 18 and 25℃) with different concentrations (1, 5, 10 and 20 μg/ml). A rapid and simple method of ultrafiltration (UF) was employed to determine the PPBR of DC in the plasma. The results showed that PPBRs were increased with the rise of the concentration of DC at the same temperature. At 4 ℃, PPBRs were increased from 90.00% to 99.51%, 89.81% to 98.71% and 84.08% to 99.21% in the plasma of grass carp, yellow catfish and crayfish respectively. At 18℃ and 25℃, the same trend was also presented in the three species. Meanwhile, PPBRs of DC might have the atypical nonlinear phenomenon. Otherwise, the temperature could affect the PPBR of DC at a certain degree in the plasma of grass carp and yellow catfish at the same concentration of DC. However, no regularity was presented in the plasma of crayfish. Overall, the increased concentration of DC significantly affected the PPBR in the plasma of grass carp, yellow catfish and crayfish at the same temperature, but the temperature only had a certain influence on the PPBR of grass carp and yellow catfish. Hence, this study is beneficial to design suitable therapeutic regimens and formulations of DC in grass carp, yellow catfish and crayfish at different temperatures.

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Drug-protein binding mechanism of juglone for early pharmacokinetic profiling: Insights from ultrafiltration, multi-spectroscopic and molecular docking methods

Cited by 28 publications

References 33 publications

Green walnut husk extracts Proliferation and Migration in Gastric Cancer

Green walnut husk extracts Proliferation and Migration in Gastric Cancer

Molecular Insight into the Binding of Astilbin with Human Serum Albumin and Its Effect on Antioxidant Characteristics of Astilbin

Determination of doxycycline’s plasma protein binding rates in the plasma of grass carp ( Ctenopharyngodon idella ), yellow catfish ( Pelteobagrus fulvidraco ) and crayfish ( Procambarus clarkii ) by an ultrafiltration method at different temperatures with different concentrations

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