PEST MANAGEMENT SCIENCE
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2025
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IF 3.8
Si-Yue Ma,Lin-Li Yang,Jing-Sha Yang,Ya Xiao,Guo-Qing Wang,Hong-Wu Liu,Yue Ding,Xiang Zhou,Li-Wei Liu,Zhi-Bing Wu,Song Yang
BACKGROUND FtsZ, namely filamenting temperature-sensitive mutant protein Z, is pervasive and highly conserved in the division process of prokaryotic organisms, and thus recently has come to be regarded as a key target for the development of innovative antibacterial agents. However, although its application in pesticides remains limited, initiation of a FtsZ-targeted antibacterial discovery strategy could help to prevent bacterial infection and drug/pesticide resistance. RESULTS To discover a new FtsZ inhibitor, the attractive molecular hybridization strategy of introducing isopropanolamine linker was used in which representative active scaffolds for FtsZ inhibitors including coumarin and cinnamic acids were selected to devise new coumarin–cinnamic acid hybrids. Interestingly, compound 4d exhibited excellent in vitro antibacterial activity toward Xanthomonas oryzae pv. oryzae [ Xoo , median effective concentration (EC 50 ) = 1.45 mg L −1 ], which was better than that of the reference reagent bismerthiazol (EC 50 = 33.08 mg L −1 ), and demonstrated commendable in vivo anti- Xoo activity (protective activity: 50.46% for 200 mg L −1 ). Furthermore, mechanistic assays including fluorescence imaging, guanosine triphosphatase (GTPase) activity assay, fluorometric titration assays, Fourier transform infrared spectroscopy and computational simulations co-elucidated that compound 4d may selectively act on the guanosine 5′-triphosphate (GTP) binding site, further suppress the GTPase activity [median inhibitory concentration(IC 50 )value of compound 4d of 170.55 μ m ), thereby inhibiting bacterial reproduction. Toxicity studies accentuated the favorable pharmacological profile and low plant toxicity of compound 4d . CONCLUSION This study provides a new paradigm for extending new bactericides to efficiently control bacterial infections by targeting FtsZ. The work provides new insights for addressing bacterial drug resistance and overcoming bottlenecks in the development of novel pesticides. © 2025 Society of Chemical Industry.
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Frontiers in Chemistry
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2022
·
IF 5.545
Kuang Yi,Xia Yunlong,Wang Xing,Rao Qingqing,Yang Shengxiang
4-hydroxyl coumarin (HC), an important intermediate during the synthesis procedure of rodenticide and anti-cardiovascular drug, shows highly medicinal value and economic value. To achieve the efficient adsorption of HC from natural biological samples, a novel magnetic surface molecularly imprinted polymer (HC/SMIPs) was constructed by employing methacrylic acid (MAA) as functional monomer, organic silane modified magnetic particles as matrix carrier and HC as template molecule. Due to the numerous specific imprinted cavities on the HC/SMIPs, the maximum adsorption capacity of HC/SMIPs for 4-hydroxycoumarin could reach to 22.78 mg g−1 within 20 min. In addition, HC/SMIPs exhibited highly selective adsorption for 4-hydroxycoumarin compared with other active drug molecules (osthole and rutin) and showed excellent regeneration performance. After 8 cycles of adsorption-desorption tests, the adsorption capacity of HC/SMIPs just slightly decreased by 6.64%. The efficient selective removal and easy recycle of 4-hydroxycoumarin from biological samples by HC/SMIPs made a highly promising to advance the application of imprinting polymers in complex practical environments.
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MOLECULES
·
2018
·Vol. 23
·期 9
·2154
·
IF 3.098
Yunchang Fan,Dongxu Cai,Xin Wang,Lei Yang
Recently, ionic liquids (ILs) have been regarded as ideal media for non-aqueous bio-catalysis. In this work, the synthesis of warfarin by the lipase-catalyzed Michael addition in IL media and the parameters that affected the warfarin yield were investigated. Experimental results demonstrated that the chemical structures of the ILs were a major factor for influencing the warfarin yield. The ILs containing the NTf2–anion were suitable reaction media due to the high chemical stability of this anion. The incorporation of the hydroxyl group on the IL cation significantly improved the lipase activity due to the H2O-mimicking property of this group. The lipase activity decreased by increasing the alkyl chain length on the IL cation due to the non-polar domain formation of the IL cation at the active site entrance of lipase. The ILs and lipase could be reused no less than five times without reduction in the warfarin yield.Keywords:ionic liquids (ILs);lipase;Michael addition;warfarin;bio-catalysis
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JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
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2012
·Vol. 87
·期 12
·1709-1714
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IF 2.168
Bang-Hua Xie,Zhi Guan,Yan-Hong He
BACKGROUND: Biocatalytic promiscuity has attracted much attention from chemists and biochemists in recent years. Warfarin, one of the most effective anticoagulants, has been introduced for clinical use as a racemate for more than half a century. Although some different chemical strategies towards the synthesis of optically active warfarin have been reported, biocatalytic preparation of warfarin remains unexploited. RESULTS: Lipase from porcine pancreas (PPL) was used as a biocatalyst to catalyze the Michael addition of 4-hydroxycoumarin to α,β-unsaturated enones in organic medium in the presence of water to synthesize warfarin and derivatives. The products were obtained in moderate to high yields (up to 95%) with none or low enantioselectivities (up to 28% ee). The influence of reaction conditions including solvents, temperature and molar ratio of substrates was systematically investigated. CONCLUSION: Among the many reported lipase-catalyzed Michael additions, only a few showed enantioselectivity. Therefore, this Michael addition activity of, for example, PPL is a valuable case of enantioselective lipase catalytic promiscuity. In addition, it was the first time warfarin and derivatives were prepared using a biocatalyst. Copyright © 2012 Society of Chemical Industry
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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2017
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IF 2.536
Yusheng Yuan,Liu Yang,Shaopu Liu,Jidong Yang,Hui Zhang,Jingjing Yan,Xiaoli Hu
A sensitive fluorescence sensor for warfarin was proposed via quenching the fluorescence of l -tryptophan due to the interaction between warfarin and l -tryptophan. Warfarin, as one of the most effective anticoagulants , was designed and synthesized via lipase from porcine pancreas (PPL) as a biocatalyst to catalyze the Michael addition of 4-hydroxycoumarin to α, β-unsaturated enones in organic medium in the presence of water. Furthermore, the spectrofluorometry was used to detect the concentration of warfarin with a linear range and detection limit (3σ/k) of 0.04–12.0 μmol L − 1 (R 2 = 0.994) and 0.01 μmol L − 1 , respectively. Herein, this was the first application of bio-catalytic synthesis and fluorescence for the determination of warfarin. The proposed method was applied to determine warfarin of the drug in tablets with satisfactory results.
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POSTHARVEST BIOLOGY AND TECHNOLOGY
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2024
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IF 6.4
Ruiling Zhuo,Xiaokang Zhang,Yong Chen,Mengyang Xing,Shiping Tian,Boqiang Li
Penicillium expansum , a causal agent of blue mold rot, leads to substantial postharvest losses in the fruit industry. Due to environmental pollution and the emergence of fungicide-resistant strains, the use of synthetic chemical fungicides faces severe challenges. Natural antifungal compounds derived from plants are considered promising alternatives. In this study, the antifungal activities of coumarin and five hydroxylated derivatives against P. expansum and involved mechanisms were investigated. Among the six coumarins, 3-hydroxycoumarin (3-HC) demonstrated strong inhibitory effects on mycelial growth, germ tube elongation, conidiation, patulin production, and the best control effect on blue mold in apple and jujube fruit. Moreover, 3-HC increased the sensitivity of P. expansum to the cell wall, oxidative, and osmotic stresses . In silico analyses, including target fishing, molecular docking, and molecular dynamics simulations, revealed that the mitogen-activated protein kinase (MAPK) family in P. expansum (Pempks), were the potential targets of 3-HC. Bio-layer interferometry and ATP competition assays found that 3-HC could directly bind to PempkB and PempkC , and inhibit the MAPK activity. Our results suggested that 3-HC may act as an ATP-competitive MAPK inhibitor to affect the MAPK signaling pathway and inhibit the development and pathogenicity of P. expansum .
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INORGANIC CHEMISTRY
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2024
·
IF 4.3
Jiaxiang Liu,Wenqi Song,Huizhe Niu,Ying Lu,Haiyan Yang,Wentao Li,Yu-zhen Zhao,Zongcheng Miao
In order to facilitate the practical application of circularly polarized luminescence (CPL) active molecules, the CPL brightness (BCPL) must be optimized. We have applied a binary modular strategy to synthesize two chiral organo-Tb3+ complexes, [Tb(Coum)3(1R,2R-Ph-PyBox)] (2) and [Tb(Coum)3(1S,2S-Ph-PyBox)] (5), combining 3-acetyl-4-hydroxy-coumarin (Coum) and enantiopure 2,6-bis(4-phenyl-2-oxazolin-2-yl) pyridine (1R,2R/1S,2S-Ph-PyBox). The photophysical properties of these novel complexes have been fully characterized. The combined point-chiral induction capability of chiral bis(oxazoline) derivatives and the outstanding photophysical properties of the coumarin-derived ligand have resulted in an intense excited-state chiroptical activity (|glum| = 0.097–0.103) for both Tb3+ enantiomers, with a bright Tb3+-centered high-purity green emission (ΦPL = 74%) and enhanced antenna-centered absorption behavior (ε320 nm = 47820–47940 M–1 cm–1). A superior BCPL (1132.7–1205.8 M–1 cm–1 at 5D4 → 7F5) has been established for complexes 2 and 5. The strategy adopted in this work provides a new route to chiroptical organo-Tb3+ luminophores with outstanding comprehensive performance.
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DYES AND PIGMENTS
·
2025
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IF 4.2
Jiaxiang Liu,Yanan Guo,Qian Zhang,Huizhe Niu,Da Li,Zhenhao Xu,Wentao Li,Yuzhen Zhao,Zongcheng Miao
Circularly polarized luminescence (CPL) in weakly emissive organo-Dy 3+ complexes has been largely unexplored. The energy gap between the Dy 3+ excited 4 F 9/2 -emitting state and adjacent 6 F 1/2 state is extremely narrow. In order to address this challenge, we have adopted a heteroleptic molecular strategy to construct a pair of novel chiral binary coumarin-based Dy 3+ enantiomers: [Dy(Coum) 3 ( R , R - i pr-PyBox)] ( 2 ) and [Dy(Coum) 3 ( S , S - i pr-PyBox)] ( 5 ), where Coum = 3-acetyl-4-hydroxy-coumarin and R , R / S , S - i pr-PyBox = 2,6-bis(( R / S )-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine. A synergistic integration of the coumarin-derived Coum ligand with high-efficiency sensitization and light-harvesting capabilities and the CPL-induced bis(oxazoline) Chiral- i pr-PyBox derivatives resulted in complexes 2 and 5 exhibiting intense high-purity yellow light ( Φ PL = 18–19 %) with intense CPL signals (| g lum | = 0.017–0.090). This approach has enabled an effective trade-off with respect to quantum efficiency and degree of polarization. An integrated superior CPL brightness ( B CPL ; 22.2–46.9 M −1 cm −1 ) has been established for the two Dy 3+ enantiomers across multiple 4 F 9/2 → 6 H J/2 transitions (J = 15, 13 and 11). The findings of this study have demonstrated the viability of the binary molecular design strategy in developing high-performance chiroptical organo-Dy 3+ luminophores.
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