Application of the molecular dynamics simulation GROMACS in food science

Food Research International, Год журнала: 2024, Номер 190, С. 114653 - 114653

Опубликована: Июнь 16, 2024

Язык: Английский

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Deciphering the binding behavior and interaction mechanism of apigenin and α-glucosidase based on multi-spectroscopic and molecular simulation studies

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 264, С. 130535 - 130535

Опубликована: Март 2, 2024

Язык: Английский

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Tinctoric acid A-B, two new hopan-type triterpenoids from the Vietnamese lichen, Parmotrema tinctorum (Despr. ex Nyl.) hale with α-glucosidase inhibitory activity

Natural Product Research, Год журнала: 2024, Номер unknown, С. 1 - 8

Опубликована: Янв. 23, 2024

Two new hopan-type triterpenoids, namely tinctoric acid A-B (1-2), were isolated from the lichen Parmotrema tinctorum (Despr. ex Nyl.) Hale. Their structures elucidated by extensive spectroscopic analyses (1D and 2D NMR). The absolute configuration at C-22 of 1 was established through DP4 probability. Compounds 1-2 evaluated for their inhibitory activity against α-glucosidase found to be more potent than those positive control (acarbose, IC50 168 µM) with values 74.7 98.2 µM, respectively. Both these compounds interacted well enzyme MAL32 H-bonds hydrophobic interaction.

Язык: Английский

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Identification and Antidiabetic Activity of Peptides in Protein Morus alba Leaf Proteolytic Hydrolysates: A Novel Functional Food Ingredient for Ameliorating Type 2 Diabetes Mellitus

Food Bioscience, Год журнала: 2025, Номер unknown, С. 106139 - 106139

Опубликована: Фев. 1, 2025

Язык: Английский

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Morusacerane: A new gammacerane triterpenoid from the trunk of Morus Alba linn. with α -glucosidase inhibitory activity

Natural Product Research, Год журнала: 2024, Номер unknown, С. 1 - 10

Опубликована: Апрель 11, 2024

This phytochemistry investigation on the trunk of Morus alba L. resulted in isolation three triterpenoids, including a new gammacerane triterpenoid – morusacerane (1); along with two known compounds betulinic acid (2) and ursolic (3). The structure elucidation was thoroughly conducted based 1D, 2D-NMR HRESIMS spectra, followed by comparison existing literatures. evaluation α-glucosidase inhibitory exhibited great potential application these isolated diabetes treatments. results show that (1), (2), (3) demonstrate strong IC50 values 106.1, 11.12, 7.20 μM, respectively. All interacted well allosteric site enzyme MAL32 through H-bonds hydrophobic interaction.

Язык: Английский

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Kuwanon C Inhibits Tumor Cell Proliferation and Induces Apoptosis by Targeting Mitochondria and Endoplasmic Reticulum

International Journal of Molecular Sciences, Год журнала: 2024, Номер 25(15), С. 8293 - 8293

Опубликована: Июль 30, 2024

Kuwanon C is a unique flavonoid found in the mulberry family, characterized by two isopentenyl groups. While previous research has focused on various properties of kuwanon C, such as antioxidant, hypoglycemic, antimicrobial, food preservation, skin whitening, and nematode lifespan extension, little attention been given to its potential role oncological diseases. In this study, we investigate antitumor effect cervical cancer cells elucidate specific mechanism action. We assessed effects using experimental techniques, including cell proliferation assay, wound healing assays, EdU 488 mitochondrial membrane ROS level cycle, apoptosis analysis, studies target sites molecular docking. The results revealed that significantly impacted cycle progression HeLa cells, disrupted their potential, induced substantial increase intracellular levels. Moreover, exhibited notable anti-proliferative pro-apoptotic surpassing performance commonly used drugs paclitaxel cisplatin. Notably, demonstrated superior efficacy while also being more easily accessible compared paclitaxel. Our study demonstrates exerts potent interaction with endoplasmic reticulum membranes, induces significant production ROS, disrupts normal structure, inhibits progression, stimulates apoptotic signaling pathways, ultimately resulting death tumor cells. As an compound derived from

Язык: Английский

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Structurally diverse dammarane-derived triterpenoids from the twigs of Aglaia perviridis Hiern and their α-glucosidase and PTP1B inhibitory activities

Phytochemistry, Год журнала: 2025, Номер unknown, С. 114439 - 114439

Опубликована: Фев. 1, 2025

Язык: Английский

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Activity-oriented isolation of nine α‑glucosidase inhibitors from the Rheum tanguticum waste and interaction mechanism analysis

Industrial Crops and Products, Год журнала: 2025, Номер 226, С. 120697 - 120697

Опубликована: Фев. 20, 2025

Язык: Английский

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Potential Antidiabetic Activity of Nordihydroguaiaretic Acid: An Insight into Its Inhibitory Mechanisms on Carbohydrate-Hydrolyzing Enzymes, the Binding Behaviors with Enzymes, and In Vivo Antihyperglycemic Effect

Journal of Agricultural and Food Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Март 28, 2025

The inhibitory mechanisms and binding behaviors of nordihydroguaiaretic acid (NDGA) to α-glucosidase/α-amylase were investigated by in vitro multispectroscopic methods silico modeling technique. results demonstrated that NDGA reversibly uncompetitively inhibited α-glucosidase, exhibiting stronger inhibition than acarbose, while it displayed noncompetitive against α-amylase. Additionally, could spontaneously bind mainly through hydrogen bonds hydrophobic forces, thus altering the spatial structure enzymes reducing their catalytic activity. presence crowding reagents/polysaccharides/undigested milk proteins would decrease ability NDGA, whereas fatty acids exhibited opposite phenomenon on α-glucosidase. Furthermore, antidiabetic activity vivo was evaluated using diabetic Drosophila model induced a high-sugar diet. It found significantly reduced glucose levels Drosophila. These findings suggested potential inhibitor be used as nutritional adjuvant prevent diabetes.

Язык: Английский

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Targeting diabetes with flavonoids from Indonesian medicinal plants: a review on mechanisms and drug discovery

Naunyn-Schmiedeberg s Archives of Pharmacology, Год журнала: 2025, Номер unknown

Опубликована: Апрель 9, 2025

Язык: Английский

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