Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: unknown
Published: Sept. 21, 2024
Difluoromethyl (CF
Language: Английский
Coordination Chemistry Reviews, Journal Year: 2023, Volume and Issue: 497, P. 215451 - 215451
Published: Sept. 18, 2023
Language: Английский
Citations
78
Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(21), P. 11938 - 11948
Published: May 16, 2024
The pursuit of new succinate dehydrogenase (SDH) inhibitors is a leading edge in fungicide research and development. use 3D quantitative structure–activity relationship (3D-QSAR) models significantly enhances the development compounds with potent antifungal properties. In this study, we leveraged natural product coumarin as molecular scaffold to synthesize 74 novel 3-coumarin hydrazide derivatives. Notably, 4ap (0.28 μg/mL), 6ae (0.32 6ah (0.48 μg/mL) exhibited exceptional vitro effectiveness against Rhizoctonia solani, outperforming commonly used boscalid (0.52 μg/mL). Furthermore, 4ak (0.88 (0.61 (0.65 6ak (1.11 showed significant activity Colletotrichum orbiculare, surpassing both SDHI (43.45 broad-spectrum carbendazim (2.15 Molecular docking studies SDH enzyme assays indicate that compound 4ah may serve promising fungicide. Our ongoing aims refine 3D-QSAR model further, enhance design, conduct additional bioactivity assays.
Language: Английский
Citations
13
Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown
Published: Dec. 19, 2024
Abstract Molecular photoswitches can undergo isomerization under light exposure, making them uniquely attractive for high spatiotemporal resolution remote control of biological functions. Visible and near‐infrared (NIR) light, with their low energy consumption, safety, strong tissue penetration, are particularly suitable applications. Therefore, developing visible‐ NIR light‐driven molecular use is great significance. This review introduces the most common presents state‐of‐art applications in bioimaging, biosensing, drug delivery, photocontrolled cancer phototherapy, photopharmacology. The opportunities challenges future development outlined.
Language: Английский
Citations
7
Pest Management Science, Journal Year: 2024, Volume and Issue: 80(10), P. 5299 - 5306
Published: June 28, 2024
Abstract BACKGROUND Succinate dehydrogenase inhibitor (SDHI) fungicides play important roles in the control of plant fungal diseases. However, they are facing serious challenges from issues with resistance and cross‐resistance, primarily attributed to their frequent application structural similarities. There is an urgent need design develop SDHI novel structures. RESULTS Aiming discover potent fungicides, 31 innovative pyrazole β ‐ketonitrile derivatives diphenyl ether moiety were rationally designed synthesized, which guided by a 3D‐QSAR model our previous study. The optimal target compound A23 exhibited not only outstanding vitro inhibitory activities against Rhizoctonia solani half‐maximal effective concentration (EC 50 ) value 0.0398 μg mL −1 comparable that for fluxapyroxad = 0.0375 ), but also moderate protective efficacy vivo rice sheath blight. Porcine succinate (SDH) enzymatic assay revealed SDH, 0.0425 μ m . Docking study within R. SDH indicated effectively binds into ubiquinone site mainly through hydrogen‐bonds, cation–π π–π interactions. CONCLUSION identified containing inhibitor, might be good lead fungicide research optimization. © 2024 Society Chemical Industry.
Language: Английский
Citations
6
Journal of Agricultural and Food Chemistry, Journal Year: 2023, Volume and Issue: 71(47), P. 18292 - 18300
Published: Sept. 22, 2023
Scaffold hopping strategy has become one of the most successful methods in process molecular design. Seeking to develop novel succinate dehydrogenase inhibitors (SDHIs), we employed a scaffold design compounds featuring geminate dichloralkenes (gem-dichloralkenes) fragment. After stepwise modifications, series N-cyclopropyl-dichloralkenes-pyrazole-carboxamide derivatives was synthesized. Among them, G28 (IC50 = 26.00 nM) and G40 27.00 were identified as best inhibitory activity against porcine SDH, with IC50 values reaching nanomolar range, outperforming lead compound pydiflumetofen. Additionally, greenhouse assay indicated that G37 (EC90 0.031 mg/L) G34 1.67 displayed extremely high activities wheat powdery mildew (WPM) cucumber (CPM), respectively. Computational results further revealed gem-dichloralkene fragment fluorine substituted pyrazole form an extra hydrophobic interaction dipolar-dipolar SDH. In summary, our study provides outstanding fungicidal properties, obtained through hopping, holds great potential for future research on PM control.
Language: Английский
Citations
13
Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(31), P. 17229 - 17239
Published: July 25, 2024
In this study, a series of novel hydrazide-containing flavonol derivatives was designed, synthesized, and evaluated for antifungal activity. the in vitro assay, most target compounds exhibited potent activity against seven tested phytopathogenic fungi. particular, compound C32 showed best Rhizoctonia solani (EC50 = 0.170 μg/mL), outperforming carbendazim 0.360 μg/mL) boscalid 1.36 μg/mL). Compound C24 excellent Valsa mali, Botrytis cinerea, Alternaria alternata with EC50 values 0.590, 0.870, 1.71 μg/mL, respectively. The vivo experiments revealed that were potential agricultural antifungals. 3D quantitative structure–activity relationship (3D-QSAR) models used to analyze relationships these compounds. analysis results indicated introducing appropriate electronegative groups at position 4 benzene ring could effectively improve anti-R. mechanism scanning electron microscopy transmission analyses disrupted normal growth hyphae by affecting structural integrity cell membrane cellular respiration. Furthermore, succinate dehydrogenase (SDH) inhibitory (IC50 8.42 μM), surpassing SDH fungicide 15.6 μM). molecular dynamics simulations docking suggested can occupy active site form strong interactions key residues SDH. Our findings have great aiding future research on plant disease control agriculture.
Language: Английский
Citations
4
Medicinal Research Reviews, Journal Year: 2025, Volume and Issue: unknown
Published: March 23, 2025
ABSTRACT Cholinergic transmission plays a critical role in both the central and peripheral nervous systems, affecting processes such as learning, memory, inflammation. Conventional cholinergic drugs generally suffer from poor selectivity temporal precision, leading to undesired effects limited therapeutic efficacy. Photopharmacology aims overcome limitations of traditional using photocleavable or photoswitchable ligands spatiotemporal patterns illumination. Spanning muscarinic nicotinic modulators cholinesterase inhibitors, this review explores development application light‐activated compounds tools for unraveling signaling physiological pathological contexts, while also paving way innovative phototherapeutic approaches.
Language: Английский
Citations
0
Chinese Chemical Letters, Journal Year: 2025, Volume and Issue: unknown, P. 111139 - 111139
Published: March 1, 2025
Language: Английский
Citations
0
Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: April 16, 2025
Natural products serve as a crucial source of compounds for developing novel agricultural antifungals. In this work, we utilized the natural product l-carvone molecular scaffold to design and synthesize three series l-carvone-based derivatives. The in vitro bioassay results indicated that most target exhibited remarkable antifungal activity. Notably, compound C3 demonstrated broad-spectrum activity against Rhizoctonia solani, Botrytis cinerea, Sclerotinia sclerotiorum, Gibberella zeae, Valsa mali, with EC50 values 0.274, 0.985, 4.17, 5.71, 2.29 μg/mL, respectively. vivo preventative efficacies C11 R. solani C13 B. cinerea revealed they had potential mechanism study, cell membrane permeability experiment showed significantly increased membrane, microscopic observations could destroy structural integrity cells reduce number mitochondria, thus affecting normal growth mycelia. Furthermore, mitochondrial detection, succinate dehydrogenase (SDH) enzyme assay, dynamics (MD) simulations, docking experiments further action binding mode SDH may be similar those thifluzamide. abovementioned provided valuable reference discovery inhibitor fungicides.
Language: Английский
Citations
0
Journal of Agricultural and Food Chemistry, Journal Year: 2024, Volume and Issue: 72(22), P. 12469 - 12477
Published: May 21, 2024
Photopharmacology can be implemented in a way of regulating drug activities by light-controlling the molecular configuations. Three photochromic ligands (PCLs) that bind on one or two sites GABARs and nAChRs were reported here. These multiphoton PCLs, including FIP-AB-FIP, IMI-AB-FIP, IMI-AB-IMI, are constructed with an azobenzene (AB) bridge covalently connects fipronil (FIP) imidacloprid (IMI) molecules. Interestingly, three PCLs as well FIP IMI showed great insecticidal against
Language: Английский
Citations
3