Corrigendum to “A novel ESIPT-based fluorescent probe with dual recognition sites for the detection of hydrazine in the environmental water samples and in-vivo bioimaging” [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 280 (2022) 121499]

Fan, Fugang; Xu, Chenyang; Liu, Xina; Zhu, Meiqing; Wang, Yi

doi:10.1016/j.saa.2022.122255

Cited by 4 publications

(6 citation statements)

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“…The structural flexibility of CYP2D6 is evaluated by the RMSF values [58]. As shown in Figure 11b, the RMSF values of CYP2D6–quercetin/hyperoside are within 0.4 nm, indicating that the two complexes are stable [59, 60].…”

Section: Resultsmentioning

confidence: 99%

“…As shown in Figure 11b, the RMSF values of CYP2D6–quercetin/hyperoside are within 0.4 nm, indicating that the two complexes are stable [59, 60]. Meanwhile, the partial RMSF values of the two complexes are slightly higher than those of pure CYP2D6, which indicates that the binding of quercetin/hyperoside can enhance the flexibility of the residual CYP2D6 backbone atoms [58].…”

Section: Resultsmentioning

confidence: 99%

“…The Rg is usually used to determine the structural compactness of protein [61]. As shown in Figure 11c, the Rg values of CYP2D6–quercetin and CYP2D6–hyperoside remain stable between 2.25 and 2.30 nm, and Rg values of both complexes are higher than that of CYP2D6 enzyme alone, suggesting a more unfolded and looser structure of CYP2D6 are caused by binding with these two flavonoids [58]. As indicated by CD results, the decrease of α‐helix content may be the main reason for the looseness of the CYP2D6 structure [36].…”

Section: Resultsmentioning

confidence: 99%

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Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Wang,

Cui

et al. 2023

Luminescence

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Some ingredients from herbal medicine can significantly affect the activity of CYP2D6, thus leading to serious interactions between herbs and drugs. Quercetin and hyperoside are active ingredients widely found in vegetables, fruits, and herbal medicines. Quercetin and hyperoside have many biological activities. In this work, the characteristic bindings of CYP2D6 with quercetin/hyperoside are revealed by multi‐spectroscopy analysis, molecular docking, and molecular dynamics simulations. The fluorescence of CYP2D6 is statically quenched by quercetin and hyperoside. The Ka values of CYP2D6‐quercetin/hyperoside range from 104 L·mol‐1, which indicates that these two flavonoids bind moderately to CYP2D6. Meanwhile, quercetin has a stronger quenching ability to CYP2D6 than that of hyperoside. The secondary structure of CYP2D6 is obviously changed by binding with quercetin/hyperoside. The docking results reveal that the quercetin/hyperoside enters the active site of CYP2D6 near Heme, and binds to CYP2D6 by hydrogen bonds and van der Waals forces. The molecular dynamics simulation results indicate that the binding of quercetin/hyperoside can stabilize the two complexes, enhance the flexibility of CYP2D6 backbone atoms, and make a more unfolded and looser structure of CYP2D6.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Wang,

Cui

et al. 2023

Luminescence

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“…The sensing of analyte by ESIPT active sensor is based on either destroying the donor‐H⋅⋅⋅acceptor bond by the analyte or regeneration of donor‐H⋅⋅⋅acceptor bond through breaking of donor‐blocking agent bond. The system significantly contributed to ESIPT research is 2‐(2‐hydroxyphenyl)benzothiazole (HBT), [9–13] in which phenolic −OH acts as proton donor, while nitrogen of thiazole ring serves as proton acceptor [14]…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Exploration of ESIPT in a Systematically Constructed Series of Benzimidazole Based Schiff Base Probes: Application as Chemosensors

Bag

Sikdar

Sahu

et al. 2023

Chemistry A European J

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Herein, we have utilized 2-(2hydroxyphenyl)benzimidazole (HBI) to synthesize 3-(1H-benzoimidazol-2-yl)-2-hydroxy-5-methyl-benzaldehyde (HBIA) followed by three Schiff bases by using -ortho (H 2 BIo), -meta (H 3 BIdm) and -para (H 2 BIp) substituted amino benzoic acids and studied their photophysical properties. We have successfully derived molecular structures of HBI, HBIA and H 3 BIdm which reveals that in HBI and HBIA, the phenolic À OH is intramolecularly hydrogen bonded with sp 2 N of benzimidazole group whereas in H 3 BIdm, it is hydrogen bonded with imine C=N of Schiff base moiety, which is responsible for different solid state emission properties of the reported compounds. Extensive experimental and theoretical studies show that for all three Schiff bases, in solution due to activation of C=N isomerization, ESIPT operates through benzimidazole site and displays different emission from the solid state. Furthermore, H 2 BIo, H 3 BIdm and H 2 BIp selectively sense Cu 2 + in semi aqueous medium with nano-molar detection limit and in HuH-7 cells through the inhibition of ESIPT of process.

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“…cyanine, BODIPY, and fluorescein for N 2 H 4 have been exploited, but they still have some defects such as long response time, complicated synthesis, and biocompatibility. 8,[12][13][14][15][16][17][18] Thereby, it's a great challenge to develop practical fluorescent probes for N 2 H 4 with better performance.…”

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confidence: 99%

Benzothiazole‐based fluorescent probe for N₂H₄

Hanlin

Huang

et al. 2022

Bulletin Korean Chem Soc

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A fluorescence enhancement probe 2‐[2‐(1,3‐benzothiazol‐2‐yl)phenyl]‐1H‐isoin‐dole‐1,3(2H)‐dione (HL1) for N2H4 was synthesized and characterized by using 2‐(2‐aminophenyl)benzothiazole as a fluorophore, and its spectroscopic properties had been researched. The results exhibited that HL1 was highly selective and sensitive to N2H4, and it had the excellent anti‐interference ability and displayed a fast response. The fluorescent intensity of HL1 showed a good linear relationship with the concentration of N2H4 (1.5–12.5 μmolL−1), and its detection limit was 0.12 μmol/L. In addition, HL1 was also applied for determining N2H4 levels in real water samples and imaging N2H4 in living HeLa cells.

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Corrigendum to “A novel ESIPT-based fluorescent probe with dual recognition sites for the detection of hydrazine in the environmental water samples and in-vivo bioimaging” [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 280 (2022) 121499]

Cited by 4 publications

References 0 publications

Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Experimental and Theoretical Exploration of ESIPT in a Systematically Constructed Series of Benzimidazole Based Schiff Base Probes: Application as Chemosensors

Benzothiazole‐based fluorescent probe for N₂H₄

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Corrigendum to “A novel ESIPT-based fluorescent probe with dual recognition sites for the detection of hydrazine in the environmental water samples and in-vivo bioimaging” [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 280 (2022) 121499]

Cited by 4 publications

References 0 publications

Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Interactions studies of CYP2D6 with quercetin and hyperoside by spectral analysis and molecular dynamics simulations

Experimental and Theoretical Exploration of ESIPT in a Systematically Constructed Series of Benzimidazole Based Schiff Base Probes: Application as Chemosensors

Benzothiazole‐based fluorescent probe for N2H4

Contact Info

Product

Resources

About

Benzothiazole‐based fluorescent probe for N₂H₄