Novel Naphthyl and Phenyl Maleimide Derivatives: Molecular Design, Systematic Optimization, Antifungal Evaluation, and Action Mechanism

Journal of Agricultural and Food Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: April 29, 2025

A systematic optimization strategy, as an effective screening approach for new antifungal compounds, was implemented to rationally construct novel naphthyl and phenyl maleimide derivatives. The structures of molecules A32 B6 were further confirmed by single-crystal X-ray diffraction. in vitro activity evaluation showed that the target compound obtained structure exhibited excellent inhibition (EC50 = 0.59 μg/mL) against Rhizoctonia solani, which better than control agent dimethachlone (1.21 μg/mL). Further vivo experiments on rice leaves potted plants R. solani at 200 μg/mL possessed outstanding protective efficiency compared dimethachlone. mycelium morphology observation SEM indicated (25 severely damaged surface mycelium, accordance with increased result cell membrane permeability assay. MD simulations molecular docking analysis revealed compounds A1 have a similar binding mode active pocket plasma H+-ATPases (PMA1) reference fungicide fluoroimide. In particular, there more hydrogen bonds protein complex complexes This research constructing derivatives strategy provides practical way find leads, thereby developing fungicides.

Language: Английский

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Synthesis and evaluation of a highly selective cannabidiol amide cholinesterase inhibitor

Results in Chemistry, Journal Year: 2024, Volume and Issue: 7, P. 101492 - 101492

Published: Jan. 1, 2024

The therapeutic mechanism for the treatment of Alzheimer's disease (AD) is mainly by inhibiting activity cholinesterase (ChE) and increasing transmission choline function neurons. In this study, two series ChE inhibitors (CA1–CA8 CB1–CB7) were designed synthesized acylation a cannabinoid (CBD) with bromoacetyl bromide, or esterification CBD an amino acid. All compounds tested in vitro to evaluate as AD therapies. Compound CB7 was identified potential butyrylcholinesterase (BuChE) inhibitor (IC50 = 0.31 ± 0.09 μM), which did not display toxicity against HepG2 PC12 cells at 6.25 μM. showed good antioxidant behavior, effective anti-tyrosinase 0.037 0.003 anti-acetylcholinesterase (AChE) 19.73 0.79 μM). Kinetic studies also that can act dual inhibitor. These results provide theoretical basis use natural product design development anti-AD drugs.

Language: Английский

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IL-6 Inhibitory Compounds from the Aerial Parts of Piper attenuatum and Their Anticancer Activities on Ovarian Cancer Cell Lines

Molecules, Journal Year: 2024, Volume and Issue: 29(13), P. 2981 - 2981

Published: June 23, 2024

Piper attenuatum Buch-Ham, a perennial woody vine belonging to the Piperaceae family, is traditionally used in Southeast Asia for treating various ailments such as malaria, headache, and hepatitis. This study described isolation identification of three new compounds, piperamides I-III (1–3), which belong maleimide-type alkaloid skeletons, along with fifteen known compounds (4–18) from methanol extract aerial parts P. attnuatum. Their chemical structures were elucidated using spectroscopic methods (UV, IR, ESI-Q-TOF-MS, 1D/2D NMR). All isolates evaluated their ability inhibit IL-6 activity human embryonic kidney-Blue™ cell line cytotoxic against ovarian cancer lines (SKOV3/SKOV3-TR) chemotherapy-resistant variants (cisplatin-resistant A2780/paclitaxel-resistant SKOV3). The 3, 4, 11, 12, 17, 18 exhibited inhibition comparable that positive control bazedoxifene. Notably, compound 12 displayed most potent anticancer effect all tested lines. These findings highlight importance researching diverse activities both newly discovered natural products fully unlock potential therapeutic benefits.

Language: Английский

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Omeprazole and its analogs exhibit insecticidal potencies as inhibitors of insect choline acetyltransferase

Pesticide Biochemistry and Physiology, Journal Year: 2024, Volume and Issue: 206, P. 106207 - 106207

Published: Nov. 10, 2024

Language: Английский

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