Novel quinazolin-4(3H)-one bionic-alkaloids bearing an 1,3,4-oxadiazole fragment as potential fungicides inhibiting Botrytis cinerea: Design, synthesis and bioactive-guided structural optimization

Arabian Journal of Chemistry, Год журнала: 2023, Номер 17(1), С. 105455 - 105455

Опубликована: Ноя. 13, 2023

The ever-rising resistance in Botrytis cinerea has appeared as the awkward agricultural challenge that could be effectively resolved by developing novel fungicides featuring disparate action mechanisms. Aiming to explore fungicidal leads inhibiting B. cinerea, quinazolin-4(3H)-one bionic-alkaloids bearing an 1,3,4-oxadiazole fragment were conceived, synthesized, and systematically optimized under guidance of anti-B. activities. aforementioned optimization on molecular structures generated candidate I25 owning promising vitro EC50 value (0.76 μg/mL) was fantastically superior those boscalid, penthiopyral, pyrimethanil imazalil (0.86, 1.03, 15.91 2.15 µg/mL). Whereafter, vivo preventative efficacy active molecule noticeably evaluated 69.3% at 200 µg/mL, which megascopically better than boscalid (60.6%). Furthermore, preliminary investigation mechanisms indicated induce conspicuous wrinkle hyphal surfaces increase membrane permeability cells. above results have emerged imperative reference control gray mold caused cinerea.

Язык: Английский

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Design, Synthesis, and Antifungal Activities of Novel Carboxamides Derivatives Bearing a Chalcone Scaffold as Potential SDHIs

Chemistry & Biodiversity, Год журнала: 2023, Номер 20(8)

Опубликована: Июль 26, 2023

In search for SDHIs fungicides, twenty-five novel carboxamides containing a chalcone scaffold were designed, synthesized, and evaluated antifungal activities against five pathogenic fungi. The results showed that compound 5 k exhibited outstanding activity R. solani with an EC50 value of 0.20 μg/mL, which was much better than commercial Boscalid (EC50 =0.74 μg/mL). Moreover, also displayed promising S. sclerotiorum, B. cinerea, A. alternate (IC50 =2.53-4.06 μg/mL), indicating had broad-spectrum activity. Additionally, in vivo could significantly inhibit the growth rice leaves good protective efficacy (57.78 %) curative (58.45 at 100 both those Boscalid, application prospect. SEM analysis remarkably disrupt typical structure morphology hyphae. Further SDH enzyme inhibition assay molecular docking study revealed lead similar mechanism action as SDHI Boscalid. These indicated potential fungicide deserved further investigation.

Язык: Английский

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Investigation of Some Metabolic Enzyme Inhibition Properties of Novel Chalcone‐Cu Complexes

ChemistrySelect, Год журнала: 2024, Номер 9(27)

Опубликована: Июль 12, 2024

Abstract Fourteen novel Chalcone‐Cu complexes were effectively synthesized in this work. The newly assessed for their effects on human carbonic anhydrase isoenzymes I and II, acetylcholinesterase enzymes, antioxidant activity. intricate compounds exhibited Ki values ranging from 41.65–190.42 nM against hCA I, 15.79–259.07 14.36–175.73 AChE enzymes. These demonstrated potent inhibitory profiles the specified metabolic surpassing of acetazolamide (for II) tacrine AChE). properties using DPPH ABTS radical scavenging assays, revealing that had moderate to high efficacy neutralizing free radicals. All underwent molecular docking experiments. Compounds 14 , 22 23 yielded highest scores. Compound a score −6.414 kcal/mol hCAI, whereas compound attained −6.697 II. most favorable −9.645 AChE. acquired results have potential help towards development new drugs containing Cu complex structures treatment prevalent ailments such as glaucoma Alzheimer's diseases.

Язык: Английский

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Crystal structure of [1-(4-carboxyphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid]-(methylsulfinyl)methane, C₁₅H₁₆N₂O₆S

Zeitschrift für Kristallographie - New Crystal Structures, Год журнала: 2024, Номер unknown

Опубликована: Сен. 2, 2024

Abstract C 15 H 16 N 2 O 6 S, monoclinic, P 1 / n (no. 14), a = 11.1325(3) Å, b 6.2088(2) c 23.8080(6) β 99.266(2)°, V 1,624.12(8) Å 3 , Z 4, R gt ( F ) 0.0431, wR ref 0.1271, T 293(2) K.

Язык: Английский

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New Halogenated Chalcones as Potential Anti-Inflammatory Agents: A Comprehensive In-Silico, In-Vitro, and In-Vivo Study with ADME Profiling

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 141055 - 141055

Опубликована: Дек. 1, 2024

Язык: Английский

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