AQUACULTURE
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2025
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IF 3.9
Shenye Qu,Yihang Liu,Kaiyuan Lu,Yunlong Qin,Jiacheng Qin,Jietao Liu,Xiaohu Wu,Gaoxue Wang,Fei Ling
Ichthyophthirius multifiliis infections constitute a critical challenge demanding urgent resolution in global aquaculture systems. Although over 20 chemicals and natural products have demonstrated efficacy against I. multifiliis in the past two decades, the translation of these findings into clinically viable antiparasitic agents has progressed slowly, with the development of novel potent therapeutics remaining a major challenge. In this study, six novel magnolol-derived compounds were rationally designed through structural optimization of the magnolol scaffold. All synthesized compounds exhibited potent antiparasitic activity against both theront and tomont stages of I. multifiliis . Compound C1 showed superior efficacy to magnolol, with 18-fold and 26-fold lower EC 50 values against theronts (0.035 mg/L) and tomonts (0.024 mg/L) in vitro, respectively. Notably, these activity surpassed the potency of malachite green. Moreover, compound C1 showed lower toxicity than malachite green. ADMET and Density functional theory (DFT) calculations revealed that compound C1 had a favorable electrostatic potential (ESP) distribution and a lower energy gap between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO), indicating good druggability. Integrated in silico strategy identified Mapk3 (mitogen-activated protein kinase 3) as the primary therapeutic target mediating C1's antiparasitic effects. Protein-Protein Interaction (PPI) network analysis, along with Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, suggested that compound C1 might disrupt lipid metabolism and lipoxygenases pathways by modulating Mapk3 expression, thereby exerting potent antiparasitic effects. These findings establish compound C1 as the most potent anti- I. multifiliis agent reported to date. Its potential application in aquaculture may provide valuable insights for addressing this critical bottleneck issue.
研究领域:
药理学
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水产养殖学
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计算化学
✓ 已验证
DOI
高影响因子
AQUACULTURE
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2025
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IF 3.9
Fei Yang,Zhiqiang Zhang,Shenye Qu,Gaoxue Wang,Qing Yu,Fei Ling
Micropterus salmoides rhabdovirus (MSRV) is a prominent pathogen that mainly endangers largemouth bass fry, which often causes devastating diseases to largemouth bass and leads to huge economic losses in aquaculture. So far, there is no approved effective measure to control MSRV infection. In the study, 24 magnolol derivatives were used to conduct anti-MSRV activity screening by RT-qPCR, and the results indicated that 5,5′-diallyl-3,3′-dinitro-[1,1′-biphenyl]-2,2′-diol (M3) exhibited the best anti-MSRV efficiency with IC 50 of 0.92 μM. Moreover, further study showed that the CPE induced by MSRV was obviously weaken by M3, and the viral titers were also significantly decreased by M3 within 96 h after MSRV infection ( p < 0.05). Next, the anti-MSRV mechanism of M3 was preliminarily investigated, and the findings illustrated that M3 did not directly act on MSRV virion which had no effect on the infectivity of MSRV. Furthermore, the adsorption of MSRV onto GCO cells was not hindered by M3. The results of cell cycle detected by flow cytometry demonstrated that M3 altered the state of cell cycle arrest in S phase induced by MSRV, influencing the environment required for virus replication. In addition, observation of survival rate and determination of viral load were conducted to further verify the antiviral activity of M3 against MSRV. The results illustrated that administration with M3 at the dose of 20 mg/kg via intraperitoneal injection significantly enhanced the survival rate of largemouth bass infected with MSRV by 35.98 % ( p < 0.01). Moreover, the viral loads of liver, spleen and kidney were significantly decreased by M3 on day 3 and day 5 post MSRV infection ( p < 0.05). Finally, the antiviral effects of M3 against aquatic rhabdoviruses spring viremia of carp virus (SVCV) and infectious hematopoietic necrosis virus (IHNV) were explored, and the results demonstrated that M3 evidently lessened the production of CPE induced by SVCV and IHNV, and inhibited the proliferation of SVCV and IHNV in EPC cells in a dose-dependent manner, with IC 50 of 2.92 μM and 2.78 μM, respectively. To sum up, M3 exhibits a high antiviral activity against MSRV, and is expected to be developed into antiviral specific drugs against rhabdoviruses in aquaculture.
研究领域:
水产养殖学
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病毒学
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药理学
✓ 已验证
产品关联
DOI
高影响因子
POLYMER DEGRADATION AND STABILITY
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2022
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IF 5.204
Wenwen Guo,Fuwei Liang,Shun Chen,Diantang Zhang,Wenbing Li,Kun Qian,Yang Xu,Bin Fei
A magnolol-derived bisphosphate (MBDPP) was successfully synthesized from the substitution reaction between magnolol and diphenyl phosphoryl chloride. MBDPP was subsequently applied for the fabrication of intrinsically anti-flammable bismaleimide (BMI) thermosets. The effect of MBDPP on the curing kinetics of BMI systems was investigated by the non-isothermal DSC technology, showing that the addition of MBDPP increased the reaction activation energy of the BMI system owing to the steric hindrance of MBDPP. With only 2 wt% of MBDPP, the BMI thermoset achieved an LOI of 35.0% and UL-94 V-0 grade. Besides, the PHRR, MARHE, THE, TSP and mean SEA of the BMI thermoset with 2 wt% of MBDPP were declined by 26%, 33%, 27%, 34% and 50%, respectively, compared to those of the unmodified BMI. The enhanced anti-flammability and smoke suppression performances of the BMI thermosets were attributed to the formation of an intact, expansive and thermally resistant char layer by the presence of MBDPP. Such a char layer effectively blocked the transportation of combustible degradation products to the flame and the thermal radiation of heat to the polymer matrix, so as to slow down the heat release rate and smoke emission.
研究领域:
材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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2025
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IF 6.2
Shenye Qu,Yihang Liu,Jietao Liu,Xiaohu Wu,Pengfei Li,Qing Yu,Gaoxue Wang,Fei Ling
Aquaculture is a rapidly growing sector of global food production, playing a vital role in poverty alleviation, food security, and income generation. However, it faces substantial challenges, particularly due to infections caused by the protozoan Ichthyophthirius multifiliis, leading to reduced yields and economic losses. In this study, two classes of magnolol derivatives (M1–M26) were synthesized and evaluated for their parasiticidal activity against I. multifiliis theronts and tomonts. Based on the determined EC50 values, two significant convolutional neural networks (CNNs) and pharmacophore models were developed, guiding the design and synthesis of three new compounds. Among these, compound new-1 exhibited superior parasiticidal efficacy both in vitro and in vivo compared to magnolol and the commercial parasiticide methylene blue, with EC50 values of 0.197 and 0.252 mg/L, respectively. Toxicity assays demonstrated that compound new-1 showed no significant harmful effects on goldfish and zebrafish embryos at effective concentrations. Further, in silico and experimental analyses identified CDK2 as a molecular target for compound new-1, which disrupted the reproduction and exerts parasiticidal activity against I. multifiliis. Additionally, compound new-1 exhibited antifungal activity against Aspergillus flavus with a MIC of ∼0.8 mg/mL, suggesting its potential application in food preservation. This study provides valuable insights into the development of magnolol-based agents for aquaculture.
研究领域:
水产养殖
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药物化学
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计算生物学
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分子生物学
✓ 已验证
DOI
PubMed
高影响因子
POLYMER
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2021
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IF 4.43
Zhihuan Weng,Lequn Song,Yu Qi,Jiahui Li,Qi Cao,Cheng Liu,Shouhai Zhang,Jinyan Wang,Xigao Jian
Bio-based polymers with better comprehensive properties, showing more competitiveness than their petroleum-based counterparts in high-tech fields is an increasingly trend but also a formidable challenge. In the study, bio-based phthalonitrile precursors were synthesized from natural occurring magnolol derivatives through a highly efficient one step process. Self-curing reactions can be proceeded with allyl groups in the resultant precursors without sacrificing the thermal stabilities of the thermoset resins. The curing behavior, mechanism and processability of the phthalonitrile precursors were studied, and the thermal stabilities of cured polymers were evaluated. Of the two bio-based precursors, the honokiol derivate exhibited a wide processing window of 163 °C with a melting point lower than 70 °C. After curing, both the magnolol- and honokiol-based resins showed glass transition temperature higher than 500 °C and 5% weight loss temperature as high as 527 °C. These properties were superior to those of the petroleum-based reference without allyl group. A model reaction, showed that the curing mechanism of allyl/phthalonitrile system here was considered to be free radical polymerization . The results demonstrate that sustainable magnolol derivatives can be employed as platform chemicals to impart excellent performances to the bio-based polymers for great promise in cutting-edge applications.
研究领域:
材料科学
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化学工程
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有机化学
✓ 已验证
DOI
高影响因子
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