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Chemical synthesis, in vitro biological evaluation and theoretical investigations of transition metal complexes derived from 4-(((5-mercapto-4H-1,2,4-triazol-3-yl)imino)methyl)-2-methoxyphenol
Journal of Molecular Structure,
2026
DOI:10.1016/j.molstruc.2026.145305
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[2]
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Design, synthesis and antibacterial activity of new Isatin-based Schiff base derivatives: Molecular docking, POM analysis, in silico pharmacokinetics and identification of antitumor pharmacophore sites
Journal of Molecular Structure,
2025
DOI:10.1016/j.molstruc.2024.140508
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[3]
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Design, synthesis, and biological evaluation of benzo[d]oxazole-2-thio and oxazolo[4,5-b]pyridine-2-thio derivatives: molecular docking, POM analysis, in silico pharmacokinetics, and pharmacophore insights for antitumor, GPCR, and kinase targets
Journal of Molecular Structure,
2025
DOI:10.1016/j.molstruc.2025.141705
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[4]
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Novel Benzothiazole Derivatives Synthesis and its Analysis as Diuretic Agents
Evidence-Based Complementary and Alternative Medicine,
2023
DOI:10.1155/2023/5460563
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Molecular Structure, Hydrogen Bonding Interactions and Docking Simulations of Nicotinamide (Monomeric and Trimeric Models) by Using Spectroscopy and Theoretical Approach
Polycyclic Aromatic Compounds,
2023
DOI:10.1080/10406638.2023.2200954
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Diacylphloroglucinol derivatives as antioxidant agents: green synthesis, optimisation, in vitro, and in silico evaluation
Natural Product Research,
2022
DOI:10.1080/14786419.2021.1889542
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Synthesis of camphor sulfonic acid derivatives modified Mg/Al-LDH for efficient separation of propranolol enantiomers
Applied Clay Science,
2022
DOI:10.1016/j.clay.2022.106521
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[8]
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Chemical synthesis, in vitro biological evaluation and theoretical investigations of transition metal complexes derived from 2-(((5-mercapto-1H-pyrrol-2-yl)imino) methyl)6-methoxyphenol
Journal of Molecular Structure,
2021
DOI:10.1016/j.molstruc.2021.130920
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[9]
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Toward an efficient and eco-friendly route for the synthesis of dimeric 2,4-diacetyl phloroglucinol and its potential as a SARS-CoV-2 main protease antagonist: insight from in silico studies
New Journal of Chemistry,
2021
DOI:10.1039/D0NJ06114J
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[10]
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Influence on the reactivity properties of the substitution by different halogens on the conjugated backbone of the 1,3,5-triaryl-2-pyrazoline skeleton in relation to the increasing alkyloxy chain length: a conceptual density functional theory study
Journal of Molecular Modeling,
2020
DOI:10.1007/s00894-020-04420-6
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[11]
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Preparation, Spectroscopic Characterization, Theoretical Investigations, and In Vitro Anticancer Activity of Cd(II), Ni(II), Zn(II), and Cu(II) Complexes of 4(3H)-Quinazolinone-Derived Schiff Base
Molecules,
2020
DOI:10.3390/molecules25245973
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[12]
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In vitro anticancer activity of 4(3H)-quinazolinone derived Schiff base and its Cu(II), Zn(II) and Cd(II) complexes: Preparation, X-ray structural, spectral characterization and theoretical investigations
Inorganica Chimica Acta,
2020
DOI:10.1016/j.ica.2020.119846
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[13]
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Chemical Reactivity Properties, Solubilities, and Bioactivity Scores of Some Pigments Derived from Carotenoids of Marine Origin through Conceptual DFT Descriptors
Journal of Chemistry,
2019
DOI:10.1155/2019/9624108
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