Design, synthesis, characterization, and theoretical calculations, along with in silico and in vitro antimicrobial proprieties of new isoxazole-amide conjugates DOI Creative Commons

Najoua Barghady,

Soumia Ait Assou, Mohammed Er-rajy

и другие.

Open Chemistry, Год журнала: 2024, Номер 22(1)

Опубликована: Янв. 1, 2024

Abstract Functionalized isoxazoles provide valuable structural motifs, opening up a wide range of uses in the medicinal, pharmacological, and pharmaceutical fields. Within this scope, an efficient approach has been adopted to synthesize novel series functionalized isoxazole derivatives, starting from aza-aurone, providing reproducible access desired excellent yields. All synthesized compounds were structurally elucidated through use various spectroscopic techniques mass spectrometry. The derivatives generated screened for their antimicrobial potential against fungus Candida albicans as well three bacterial strains. results show that almost all tested found be significantly potent C. . also computed using Gaussian software package with 6-31++G(d,p) basis set at B3LYP, HF, M062X levels, chemical activities compared. Moreover, molecular docking studies performed receptor. suggest newly exhibit scores ranging −10.29 −15.08 kcal/mol, revealing high affinity target enzyme ( 5V5Z ). Lastly, drug similarity ADMET (absorption, distribution, metabolism, excretion, toxicity) properties assessments indicate have favorable absorption, metabolism associated proven lack toxicity.

Язык: Английский

Microwave assisted, one-pot four component designing of 1-butyl-4,5-bis(4-chlorophenyl)-2-aryl-1H-imidazoles DOI

Antar A. Abdelhamid,

Raafat A. El-Eisawy,

Nawaf I. Alsenani

и другие.

Synthetic Communications, Год журнала: 2025, Номер unknown, С. 1 - 8

Опубликована: Фев. 28, 2025

Язык: Английский

Процитировано

0
Microwave-Assisted Green Synthesis, In Silico Study, and Plant Growth Stimulant Activity of Novel 3-(2-Arylidenehydrazinyl)-6-chloropyridazines DOI
Emma A. Ghazaryan, T. A. Gomktsyan, A. V. Karapetyan

и другие.

Russian Journal of General Chemistry, Год журнала: 2025, Номер 95(3), С. 704 - 714

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0
Synthesis and in silico studies of quinoline appended acridine via conventional and green methods: photophysical analysis of novel fluorophore for picric acid detection using a ‘turn-off' fluorescence approach DOI Creative Commons
Reji Philip,

V. Vijayakumar

BMC Chemistry, Год журнала: 2025, Номер 19(1)

Опубликована: Апрель 9, 2025

A series of novel 4-(9-phenyl-1,2,3,4-tetrahydroacridin-2-yl)cyclohexan-1-ones and their dimers were synthesized using an efficient one-pot method with Deep Eutectic Solvents (DESs), alongside microwave-assisted conventional techniques. Using less toxic inexpensive DESs enhance sustainability in producing desired products. Green metrics calculations indicate a high level greenness the synthesis process. FT-IR, NMR, HRMS characterized compounds. In-silico tests involving Bovine Serum Albumin (BSA) assessed binding affinity compounds toward various drugs. Furthermore, DFT studies explored theoretical spectral calculations, energy differences, electron cloud density. Notably, among derivatives, fluorophore 4-(7-amino-9-phenyl-1,2,3,4-tetrahydroacridin-2-yl)cyclohexan-1-one (3e) can specifically detect 2,4,6-trinitrophenol (Picric acid, PA), fatal nitro explosive. Photophysical confirmed 3e's ability as "turn-off" fluorescence chemosensor for PA detection limit 1.766 × 10-9 M stoichiometric ratio 1:1 between probe analyte. Structural confirmation was achieved through single-crystal XRD.

Язык: Английский

Процитировано

0
Microwave-assisted in-Situ Synthesis of ZnS/g-C3N4 Heterojunction Composite for Efficient Photocatalytic Degradation of Malachite Green Dye DOI
Gomathi Ramalingam, Priya Arunkumar, Mashael Daghash Alqahtani

и другие.

Water Air & Soil Pollution, Год журнала: 2025, Номер 236(8)

Опубликована: Май 19, 2025

Язык: Английский

Процитировано

0
Microwave-induced Reactions for Pyrrole Synthesis DOI
Monika Kamboj, Sangeeta Bajpai, Bimal Krishna Banik

и другие.

Current Organic Chemistry, Год журнала: 2023, Номер 27(7), С. 559 - 567

Опубликована: Апрель 1, 2023

Abstract: Heterocycles are organic compounds, the most important pharmaceutical skeleton widely distributed in nature. Many of them possess medicinal as well pharmacological activities. Pyrroles well-known five-member-privileged scaffolds with potential. Pyrrole is component complex macrocycles, including porphyrins heme and chlorophylls. Nowadays, development microwave-supported synthetic strategies for such biologically relevant heterocycles an objective. Microwave-induced pyrrole synthesis has become environmentally benign route transformation reduced reaction time high yields. This mini-review focuses on eco-friendly microwaveinduced pyrroles, their derivatives, potential applications, covering literature up to 2022.

Язык: Английский

Процитировано

7
BiCl3-catalyzed green synthesis of 4-hydroxy-2-quinolone analogues under microwave irradiation DOI Creative Commons
Yousra Ouafa Bouone, Abdeslem Bouzina,

Rayene Sayad

и другие.

RSC Advances, Год журнала: 2023, Номер 13(40), С. 28030 - 28041

Опубликована: Янв. 1, 2023

Traditional chemical synthesis, which involves the use of dangerous protocols, hazardous solvents, and toxic products catalysts, is considered environmentally inappropriate harmful to human health. Bearing in mind its numerous drawbacks, it has become crucial substitute conventional chemistry with green safer, more ecofriendly effective terms time selectivity. Elaborating synthetic protocols producing interesting new compounds using both microwave heating heterogeneous non-toxic catalysts acknowledged as a approach that avoids many classical chemistry-related problems. In current study, β-enaminones were used precursors synthesis modified 4-hydroxy-2-quinolone analogues. The was monitored benign way under irradiation catalyzed by bismuth chloride III an amount 20 mol%. This method privileged non-corrosive, non-toxic, low-cost available Lewis acid catalyst made respectful demands chemistry. synthesized obtained moderate good yields (51-71%) characterized 1H, 13C NMR, IR spectroscopy well elemental analysis. Compound 5i subjected complete structural elucidation X-ray diffraction method, results show obtention enolic tautomeric form.

Язык: Английский

Процитировано

7
Advancements in Green Chemistry: Microwave-Assisted Synthesis of Poly-Heterocyclic Compounds in Aqueous Media DOI Open Access
Mohamed R. Eletmany

International Journal of Current Research in Science Engineering & Technology, Год журнала: 2024, Номер 7(1), С. 16 - 26

Опубликована: Фев. 8, 2024

This comprehensive review explores the recent strides made in field of green chemistry, focusing on utilization microwave (MW) irradiation for synthesis poly-heterocyclic compounds aqueous media.The adoption environmentally benign protocols involving greener alternatives has led to significant reductions chemical waste and reaction time.The highlights various methodologies, such as MW-assisted nitrogen-containing heterocycles, cyclic ureas, triazoles, dihydropyrimidinones, oxygen tetrahydropyrans, heterocyclic hydrazones.The diverse structures is accomplished through innovative strategies, including N-alkylation, direct Grignard-type addition, three-component condensation reactions.The emphasizes advantages these approaches, shorter times, higher product yields, elimination hazardous organic solvents.Additionally, use recyclable catalysts, montmorillonite K10 clay nano-sized magnesium oxide, contributes eco-friendly nature methodologies.The incorporation principles, water-mediated conditions catalyst recyclability, reflects a commitment sustainable efficient synthetic practices.This provides valuable insights into ongoing efforts minimize environmental footprint while advancing compound synthesis.

Язык: Английский

Процитировано

2
Visible light-promoted, catalyst-free synthesis of isoniazid azomethines: In vitro antioxidant activity, Molecular Docking, ADME and toxicity prediction DOI
Safia Iqbal, Mohd Kamil Hussain,

Roohi Ansari

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140686 - 140686

Опубликована: Ноя. 9, 2024

Язык: Английский

Процитировано

2
Synthesis of Novel 1,3,4-Oxadiazole-Derived α-Aminophosphonates/α-Aminophosphonic Acids and Evaluation of Their In Vitro Antiviral Activity against the Avian Coronavirus Infectious Bronchitis Virus DOI Creative Commons

Shaima Hkiri,

Marwa Mekni–Toujani, Elvan Üstün

и другие.

Pharmaceutics, Год журнала: 2022, Номер 15(1), С. 114 - 114

Опубликована: Дек. 29, 2022

An efficient and simple approach has been developed for the synthesis of eight dialkyl/aryl[(5-phenyl-1,3,4-oxadiazol-2-ylamino)(aryl)methyl]phosphonates through Pudovik-type reaction dialkyl/arylphosphite with imines, obtained from 5-phenyl-1,3,4-oxadiazol-2-amine aromatic aldehydes, under microwave irradiation. Five them were hydrolyzed to lead corresponding phosphonic acids. Selected synthesized compounds screened their in vitro antiviral activity against avian bronchitis virus (IBV). In MTT cytotoxicity assay, dose-response curve showed that all test safe range concentration 540-1599 µM. The direct contact novel IBV diethyl[(5-phenyl-1,3,4-oxadiazol-2-ylamino)(4-trifluoromethoxyphenyl)methyl]phosphonate (5f) (at 33 µM) [(5-phenyl-1,3,4-oxadiazol-2-ylamino)(4-trifluoromethylphenyl)methyl] acid (6a) 1.23 strongly inhibited infectivity, indicating high virucidal activity. However, titers IBV-infected Vero cells remained unchanged response treatment lowest non-cytotoxic concentrations suggesting incapacity inhibit replication inside host cell. Lack might presumably be ascribed polarity hampers diffusion across lipophilic cytoplasmic membrane. Therefore, interactions 5f 6a analyzed main coronavirus protease, papain-like nucleocapsid protein by molecular docking methods. Nevertheless, 1,3,4-oxadiazole-based α-aminophosphonic acids α-amino-phosphonates hold potential developing new hygienic products domestic, chemical, medical uses.

Язык: Английский

Процитировано

10
Recent Developments towards the Synthesis of Pyrimidopyrimidine and Purine Derivatives DOI
Pradip Debnath

ChemistrySelect, Год журнала: 2023, Номер 8(26)

Опубликована: Июль 10, 2023

Abstract Fused pyrimidines scaffolds such as pyrimidopyrimidines, purines and xanthines are important structural motifs found in various natural products drug molecules. They used anticancer, antiviral, antibacterial, antifungal, antioxidant, antitumor, anti‐diabetic, adenosine potentiating, hepatoprotective agents. Due to their diverse biological applications, the synthesis of has gained great importance among researchers recent years. Thus, present study aims review synthetic methodologies published during years 2000–2022 for preparation nucleus. Mechanistic interpretation some cases also been discussed. This survey will help working fields organic medicinal chemistry undertake improve new approaches construction titled compounds.

Язык: Английский

Процитировано

4