Synthesis, and Computational Insights Into Quinoline Hydrazide Derivatives as Potential Antimicrobial Agents
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Biochemical and Molecular Toxicology"
DOI: 10.1002/jbt.70614
Abstract: A series of novel quinoline hydrazide derivatives (4a–4o) were synthesized and characterized by mass spectrometry, ¹H NMR, and ¹³C NMR. The compounds exhibited notable antibacterial and antifungal activity. Among gram‐positive strains, compounds 4f and 4j… read more here.
Keywords: quinoline hydrazide; hydrazide derivatives; synthesis computational; insights quinoline ... See more keywords
Synthesis, computational study and cytotoxicity of 4-hydroxycoumarin-derived imines/enamines
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Diversity"
DOI: 10.1007/s11030-020-10086-2
Abstract: Abstract In this study, we applied a direct condensation between 3-acetyl-4-hydroxy-2 H -chromen-2-one and different amines (anilines and benzyl amines) in order to synthesize some coumarin-based imines/enamines ( 3a – o ) as cytotoxic agents.… read more here.
Keywords: imines enamines; study cytotoxicity; computational study; study ... See more keywords
Design, synthesis, computational and biological evaluation of new benzodiazepines as CNS agents
Sign Up to like & getrecommendations! Published in 2020 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2017.08.005
Abstract: Abstract Two series of new benzodiazepines were synthesized and the target compounds (E1-10 and G1-10) were evaluated for antianxiety and skeletal muscle relaxant activity as CNS agents in albino mice. The chemical structures of the… read more here.
Keywords: new benzodiazepines; synthesis computational; cns agents; design synthesis ... See more keywords
BODIPY based red emitters: Synthesis, computational and biological studies.
Sign Up to like & getrecommendations! Published in 2020 at "Bioorganic chemistry"
DOI: 10.1016/j.bioorg.2020.104467
Abstract: Donor-Acceptor type BODIPYs with strong absorption and fluorescence in the red region (550-800 nm) are reported. The aromatic groups like N-butylcarbazole/ N-butylphenothiazine/ benzothiadiazole were attached to the C-8 position of the BODIPY core with furan or… read more here.
Keywords: red emitters; emitters synthesis; bodipy based; synthesis computational ... See more keywords
Synthesis, computational predictions of selective bioactive nicotinamide derivatives and in vitro biological evaluations
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.06.048
Abstract: Abstract A series of nicotinamide derivatives were designed and studied in silico molecular docking predictions against inflammatory responsible enzymes (cyclooxygenase-1(1PGG) and cyclooxygenase-2 (4-COX)). The well-predicted compounds were synthesized, characterized by the spectroscopic techniques namely, Proton… read more here.
Keywords: predictions selective; nicotinamide derivatives; synthesis computational; vitro biological ... See more keywords
Synthesis, computational, and photophysical characterization of diaza-embedded [4]helicenes and pseudo[4]helicenes and their pyridinium and viologen homologues
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DOI: 10.1016/j.tet.2016.12.032
Abstract: Abstract Synthesis of three [4]heli-viologens and their helical precursors, and two “pseudo-[4]helicenes” and their alkylated derivatives, which have potential device and catalysis applications, are reported. Their structures and racemization barriers have been explored with the… read more here.
Keywords: computational photophysical; photophysical characterization; helicenes pseudo; pseudo helicenes ... See more keywords
Boron-Doped Endohedral Metallofullerenes: Synthesis and Computational Analysis of a Family of Heteroatom-Doped Molecular Carbons
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DOI: 10.1021/acs.inorgchem.4c05122
Abstract: Gas-phase synthesis and detection of boron-doped nitride clusterfullerenes and a large variety of monometallofullerenes have been achieved using a pulsed laser vaporization cluster source. Density functional theory (DFT) calculations show that the electronic structures of… read more here.
Keywords: synthesis computational; endohedral metallofullerenes; boron; metallofullerenes synthesis ... See more keywords
Design, synthesis, and computational insights into 3-acetyl-8-methoxy coumarin hybrids as potential anti-alzheimer’s agents
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DOI: 10.1038/s41598-025-28665-4
Abstract: The most prevalent degenerative brain disease, Alzheimer’s disease (AD), is characterized by cognitive function impairment. The ability to code new memories is lost in AD patients, and their lives are very challenging. Inhibitors of cholinesterase… read more here.
Keywords: synthesis computational; coumarin; insights acetyl; computational insights ... See more keywords
Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agents
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2022.2036241
Abstract: Abstract The increase in the drug-resistant strains of Mycobacterium tuberculosis has led researchers to new drug targets. The development of new compounds that have effective inhibitory properties with the selective vital structure of Mycobacterium tuberculosis… read more here.
Keywords: design synthesis; development; synthesis computational; benzimidazole derivatives ... See more keywords
Synthesis, computational study and biological evaluation of 9-acridinyl and 1-coumarinyl-1,2,3-triazole-4-yl derivatives as topoisomerase II inhibitors
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Enzyme Inhibition and Medicinal Chemistry"
DOI: 10.1080/14756366.2021.2021898
Abstract: Abstract Topoisomerase (IIB) inhibitors have been involved in the therapies of tumour progression and have become a major focus for the development of anticancer agents. New three-component hybridised ligands, 1,4-disubstituted-1,2,3-triazoles (8–17), were synthesised via a… read more here.
Keywords: cell; computational study; topoisomerase iib; acridinyl ... See more keywords
3-Amino-5-(indol-3-yl)methylene-4-oxo-2-thioxothiazolidine Derivatives as Antimicrobial Agents: Synthesis, Computational and Biological Evaluation
Sign Up to like & getrecommendations! Published in 2020 at "Pharmaceuticals"
DOI: 10.3390/ph13090229
Abstract: Herein we report the design, synthesis, computational, and experimental evaluation of the antimicrobial activity of fourteen new 3-amino-5-(indol-3-yl) methylene-4-oxo-2-thioxothiazolidine derivatives. The structures were designed, and their antimicrobial activity and toxicity were predicted in silico. All… read more here.
Keywords: methylene oxo; indol methylene; amino indol; synthesis computational ... See more keywords