Screening bifunctional flavonoids of anti-cholinesterase and anti-glucosidase by in vitro and in silico studies: Quercetin, kaempferol and myricetin

Li, Nana; Yang, Jing; Wang, Qianqian; Wu, Liyang; Liu, Yongping

doi:10.1016/j.fbio.2022.102312

Cited by 23 publications

(10 citation statements)

References 39 publications

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“…The literature reported that MYR has the capability to inhibit acetylcholinesterase (AChE) and butyrylocholinoesterase (BChE) enzymes [ 92 , 93 ]. Increasing MYR’s solubility could result in an expansion of its bioavailability and help it reach an effective concentration where it can interact with the active center of cholinesterases that are essential for the onset of neurodegeneration.…”

Section: Resultsmentioning

confidence: 99%

“…Due to a difference in the amino acid chain in the active site of BChE, the kind of binding interactions between MYR molecule and BChE was different than the interactions between MYR molecule and AChe. At the active site of BChE, MYR showed hydrogen bonds with GLY 112 and TYR 125 , hydrophobic interactions with PHE 326 , PHE3 93 , and TRP 79 , and π-stacking interaction with HIS 433 (see Figure 8d).…”

Section: Resultsmentioning

confidence: 99%

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Myricetin Amorphous Solid Dispersions—Antineurodegenerative Potential

Rosiak,

Tykarska,

Cielecka-Piontek

2024

Molecules

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Our research aimed to develop an amorphous solid dispersion (ASD) of myricetin (MYR) with Polyvinylpyrrolidone K30 (PVP30) to enhance its solubility, dissolution rate, antioxidant, and neuroprotective properties. Employing a combination of solvent evaporation and freeze drying, we successfully formed MYR ASDs. XRPD analysis confirmed complete amorphization in 1:8 and 1:9 MYR-PVP weight ratios. DSC thermograms exhibited a single glass transition (Tg), indicating full miscibility. FT-IR results and molecular modeling confirmed hydrogen bonds stabilizing MYR’s amorphous state. HPLC analysis indicated the absence of degradation products, ensuring safe MYR delivery systems. Solubility, dissolution rate (pH 1.2 and 6.8), antioxidant (ABTS, DPPH, CUPRAC, and FRAP assays), and in vitro neuroprotective activities (inhibition of cholinesterases: AChE and BChE) were significantly improved compared to the pure compound. Molecular docking studies revealed that MYR had made several hydrogen, hydrophobic, and π-π stacking interactions, which could explain the compound’s potency to inhibit AChE and BChE. MYR-PVP 1:9 w/w ASD has the best solubility, antioxidant, and neuroprotective activity. Stability studies confirmed the physical stability of MYR-PVP 1:9 w/w ASD immediately after dissolution and for two months under ambient conditions. Our study showed that the obtained ASDs are promising systems for the delivery of MYR with the potential for use in alleviating the symptoms of neurodegenerative diseases.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Myricetin Amorphous Solid Dispersions—Antineurodegenerative Potential

Rosiak,

Tykarska,

Cielecka-Piontek

2024

Molecules

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“…The cyclical application of ultrasound might have induced subtle changes in the molecular interactions between the tannins and the liposomal matrix, contributing to the observed differences in encapsulation efficiency. These factors collectively contribute to the encapsulation efficiency [46].…”

Section: Encapsulation Efficiencies (Ee)mentioning

confidence: 99%

Physicochemical Properties of Nanoliposomes Encapsulating Grape Seed Tannins Formed with Ultrasound Cycles

Monasterio,

Osorio

2024

Foods

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Grape seeds are an excellent source of flavonoids and tannins with powerful antioxidant properties. However, the astringency of tannins limits their direct incorporation into food. To overcome this challenge, we investigated the encapsulation of grape seed tannins within nanoliposomes formed by ultrasound cycling. We characterized the nanoliposomes’ physicochemical properties, including encapsulation efficiency, antioxidant activity, stability, microstructure, and rheological properties. Our findings reveal that the nanoliposomes exhibited excellent stability under refrigerated conditions for up to 90 days with a mean particle size of 228 ± 26 nm, a polydispersity index of 0.598 ± 0.087, and a zeta potential of −41.6 ± 1.30 mV, maintaining a spherical multilamellar microstructure. Moreover, they displayed high antioxidant activity, with encapsulation efficiencies of 79% for epicatechin and 90% for catechin. This innovative approach demonstrates the potential of using ultrasound-assisted nanoliposome encapsulation to directly incorporate grape seed tannins into food matrices, providing a sustainable and efficient method for enhancing their bioavailability and functionality.

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“…Flavonoids, being biologically active secondary metabolites, are abundant in various plant-derived products, including seeds, fruits, and vegetables. Many flavonoids, characterized by the presence of more than three hydroxyl groups, exhibit potent antioxidant properties, imparting significant health benefits ( Sadeghi et al, 2023 ; Li et al, 2023 ; Smyrska-Wieleba and Mroczek, 2023 ). Pharmacological investigations have revealed that flavonoids possess multifaceted activities, encompassing the regulation of inflammation, management of liver disorders, mitigation of oxidative stress, cardiovascular health, anti-tumor effects, and antimicrobial properties ( Ferraz et al, 2020 ; Abou Baker, 2022 ; Taldaev et al, 2022 ).…”

Section: Introductionmentioning

confidence: 99%

Identification of cholinesterases inhibitors from flavonoids derivatives for possible treatment of Alzheimer's disease: In silico and in vitro approaches

Sadeghi,

Seyedebrahimi,

Ghanadian

et al. 2024

Current Research in Structural Biology

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Screening bifunctional flavonoids of anti-cholinesterase and anti-glucosidase by in vitro and in silico studies: Quercetin, kaempferol and myricetin

Cited by 23 publications

References 39 publications

Myricetin Amorphous Solid Dispersions—Antineurodegenerative Potential

Myricetin Amorphous Solid Dispersions—Antineurodegenerative Potential

Physicochemical Properties of Nanoliposomes Encapsulating Grape Seed Tannins Formed with Ultrasound Cycles

Identification of cholinesterases inhibitors from flavonoids derivatives for possible treatment of Alzheimer's disease: In silico and in vitro approaches

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