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Spectroscopic, DFT, In Silico, and Estimation of Biological Activity of 2,4‐Dichloro‐6,7‐Dimethoxyquinazoline as a Potential Anti‐Alzheimer's Disease Therapeutic Agent
International Journal of Quantum Chemistry,
2025
DOI:10.1002/qua.70006
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Design, synthesis, and bioevaluation of novel unsaturated cyanoacetamide derivatives: In vitro and in silico exploration
MethodsX,
2024
DOI:10.1016/j.mex.2024.102691
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Design, synthesis, and bioevaluation of novel unsaturated cyanoacetamide derivatives: In vitro and in silico exploration
MethodsX,
2024
DOI:10.1016/j.mex.2024.102691
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In Silico Prediction of Antibacterial Activity of Quinolone Derivatives
ChemistrySelect,
2024
DOI:10.1002/slct.202402780
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Organic Sunscreens—Is Their Placenta Permeability the Only Issue Associated with Exposure During Pregnancy? In Silico Studies of Sunscreens’ Placenta Permeability and Interactions with Selected Placental Enzymes
Molecules,
2024
DOI:10.3390/molecules29245836
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Simulating New Fusidic Acid Derivatives to Target Gram‐Positive Bacteria by Using Computational Methods
ChemistrySelect,
2024
DOI:10.1002/slct.202404142
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Combined Experimental and Computational Investigations of 4‐Amino‐2‐Chloro‐6,7‐Dimethoxyquinazoline as Potential Anti‐Alzheimer Agent
International Journal of Quantum Chemistry,
2024
DOI:10.1002/qua.27527
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Evaluating the Anticancer Properties of Novel Piscidinol A Derivatives: Insights from DFT, Molecular Docking, and Molecular Dynamics Studies
ACS Omega,
2024
DOI:10.1021/acsomega.4c07808
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Systematic Study of Steroid Drugs’ Ability to Cross Biomembranes—The Possible Environmental Impact and Health Risks Associated with Exposure During Pregnancy
Membranes,
2024
DOI:10.3390/membranes15010004
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Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation
Frontiers in Chemistry,
2024
DOI:10.3389/fchem.2024.1351669
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Evaluation of novel pyridoxal isonicotinoyl hydrazone (PIH) derivatives as potential anti‐tuberculosis agents: An in silico investigation
International Journal of Quantum Chemistry,
2024
DOI:10.1002/qua.27381
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Investigating the potential of 6-substituted 3-formyl chromone derivatives as anti-diabetic agents using in silico methods
Scientific Reports,
2024
DOI:10.1038/s41598-024-63237-y
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[13]
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Design, Synthesis and Structural Characterization of Novel Thioanthraquinone Analogues from 1,5-Dichloroanthraquinone
Journal of the Turkish Chemical Society Section A: Chemistry,
2023
DOI:10.18596/jotcsa.1240673
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Synthesis of New Derivatives of Benzylidinemalononitrile and Ethyl 2-Cyano-3-phenylacrylate: In Silico Anticancer Evaluation
ACS Omega,
2023
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Design, Synthesis and Structural Characterization of Novel Thioanthraquinone Analogues from 1,5-Dichloroanthraquinone
Journal of the Turkish Chemical Society Section A: Chemistry,
2023
DOI:10.18596/jotcsa.1240673
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Molecular docking studies of phytocompounds of Rheum emodi Wall with proteins responsible for antibiotic resistance in bacterial and fungal pathogens: in silico approach to enhance the bio-availability of antibiotics
Journal of Biomolecular Structure and Dynamics,
2022
DOI:10.1080/07391102.2020.1850364
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[17]
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Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives
Journal of Molecular Structure,
2022
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Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives
Journal of Molecular Structure,
2022
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[19]
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Molecular docking studies of phytocompounds of
Rheum emodi
Wall with proteins responsible for antibiotic resistance in bacterial and fungal pathogens:
in silico
approach to enhance the bio-availability of antibiotics
Journal of Biomolecular Structure and Dynamics,
2022
DOI:10.1080/07391102.2020.1850364
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