Application of cucurbituril [7] in paraquat detoxification.
A paraquat and melon ring technology, applied in the application field of melon ring[7] in paraquat detoxification, can solve the problems of no good effect, no PQ detoxification special effect method, etc., to inhibit the increase of cellular reactive oxygen species level. , the effect of reducing the increase in the level of inflammatory factors and prolonging the survival time
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Embodiment 1
[0077] Synthesis of Cucurbit[7]
[0078] 100g of glucuronide was thoroughly mixed with 42.2g of paraformaldehyde powder. While vigorously stirring, 142 mL of concentrated hydrochloric acid was added dropwise. After standing for 30 minutes, heat to 100 degrees and keep for 20 hours. After the suspension was cooled to room temperature, the cucurbitanyl ring [7] (abbreviated as CB [7] hereinafter) was isolated using the method reported in the literature (J. Org. Chem. 66, 8094-8100 (2001)).
Embodiment 2
[0080] CB[7] combined with PQ model
[0081] 1 method:
[0082] Use ChemBioOffice Ultra 14.0 software to draw the three-dimensional structures of CB[7] and PQ, and use AutoDockTools to generate pdb files. The combination process of CB[7] and PQ is simulated by AutoDock Vina.
[0083] The lattice calculation range is set to The lattice calculation unit is The search space center is set to and (x, y, z). The number of GA runs is set to 100, and other parameters are the default values of AutoDock Vina. Conformation searches were performed using the Lamarckian genetic algorithm. The energy-minimized complex structure was optimized with ChemBioOffice Ultra 14.0.
[0084] 2 results:
[0085] The combination of PQ and CB[7] was simulated by AutoDock Vina, and the complex structure with the lowest energy is shown in figure 2 . figure 2 The left side of A shows the structure of the melon ring [7], and the right side shows the structure of PQ. figure 2 B shows the C...
Embodiment 3
[0091] In Vitro Experiment of Detoxification Effect of CB[7] on PQ
[0092] Example 2 proves that CB[7] can effectively bind PQ under different pH environments. In this example, we evaluated the detoxification effect of CB[7] on PQ through in vitro cell experiments. We used a macrophage cell line RAW264.7 commonly used in in vitro cytotoxicity evaluation to study the protective effect of CB[7] (molar ratio 1:1) at different PQ concentrations.
[0093] 1 method is as follows:
[0094] 1.1 Determination of cell viability
[0095] Twelve hours after the cells were seeded in 96-well plates, different concentrations of PQ with or without CB[7] were added. The cell viability at the set time was determined by the CCK-8 method.
[0097] Will 2×10 5 RAW264.7 cells were suspended in 1 mL medium and planted in 12-well plates. Various concentrations of PQ with or without CB[7] were added for incubation. Cells were collected at set time points, stained w...
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