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Computational investigations of D-glucofuranose-based derivatives: DFT, MEP, NBO, ADMET, PASS, and molecular docking toward antidiabetic targets
Ovidius University Annals of Chemistry,
2025
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Synthesis, antimicrobial activity, molecular docking, molecular dynamics simulation, and ADMET properties of the mannopyranoside derivatives as antimicrobial agents
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2024
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Synthesis, antimicrobial, and in silico studies of c5′-
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Nucleosides, Nucleotides & Nucleic Acids,
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ChemistrySelect,
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In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics
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2024
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Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens
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Synthesis, spectral characterization, biological, FMO, MEP, molecular docking, and molecular dynamics simulation studies of cytidine derivatives as antimicrobial and anticancer agents
Chemical Physics Impact,
2024
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Design, Synthesis, In Silico and POM Studies for the Identification of the Pharmacophore Sites of Benzylidene Derivatives
Molecules,
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A computational investigation of galactopyranoside esters as antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetics, and bioactivity prediction
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2023
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In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling
Nucleosides, Nucleotides & Nucleic Acids,
2023
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Synthesis, antimicrobial activity, molecular docking and pharmacophore analysis of new propionyl mannopyranosides
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Methyl β-D-galactopyranoside esters as potential inhibitors for SARS-CoV-2 protease enzyme: synthesis, antimicrobial, PASS, molecular docking, molecular dynamics simulations and quantum computations
Glycoconjugate Journal,
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In silico approach for potential antimicrobial agents through antiviral, molecular docking, molecular dynamics, pharmacokinetic and bioactivity predictions of galactopyranoside derivatives
Arab Journal of Basic and Applied Sciences,
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Synthesis, antimicrobial, anticancer activities, PASS prediction, molecular docking, molecular dynamics and pharmacokinetic studies of designed methyl α-D-glucopyranoside esters
Journal of Molecular Structure,
2022
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Synthesis, antimicrobial, molecular docking and molecular dynamics studies of lauroyl thymidine analogs against SARS-CoV-2: POM study and identification of the pharmacophore sites
Bioorganic Chemistry,
2022
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Synthesis, antimicrobial, SAR, PASS, molecular docking, molecular dynamics and pharmacokinetics studies of 5′-O-uridine derivatives bearing acyl moieties: POM study and identification of the pharmacophore sites
Nucleosides, Nucleotides & Nucleic Acids,
2022
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Potential SARS-CoV-2 RdRp inhibitors of cytidine derivatives: Molecular docking, molecular dynamic simulations, ADMET, and POM analyses for the identification of pharmacophore sites
PLOS ONE,
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Efficient Antibacterial/Antifungal Activities: Synthesis, Molecular Docking, Molecular Dynamics, Pharmacokinetic, and Binding Free Energy of Galactopyranoside Derivatives
Molecules,
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Synthesis of new series of pyrimidine nucleoside derivatives bearing the acyl moieties as potential antimicrobial agents
Pharmacia,
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MONOSACCHARIDE DERIVATIVES: SYNTHESIS, ANTIMICROBIAL, PASS, ANTIVIRAL AND MOLECULAR DOCKING STUDIES AGAINST SARS-COV-2 MPRO INHIBITORS
Cellulose Chemistry and Technology,
2021
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Synthesis, Antimicrobial, Anticancer, PASS, Molecular Docking, Molecular Dynamic Simulations & Pharmacokinetic Predictions of Some Methyl β-D-Galactopyranoside Analogs
Molecules,
2021
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Synthesis, characterization, synergistic antimicrobial properties and molecular docking of sugar modified uridine derivatives
Ovidius University Annals of Chemistry,
2021
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In silico DFT study, molecular docking, and ADMET predictions of cytidine analogs with antimicrobial and anticancer properties
In Silico Pharmacology,
2021
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Synthesis, Characterization, and Molecular Docking Against a Receptor Protein FimH of Escherichia coli (4XO8) of Thymidine Derivatives
Journal of the Mexican Chemical Society,
2021
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Hacettepe Journal of Biology and Chemistry,
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Evaluation of the antimicrobial activity and cytotoxic effect of some uridine derivatives
International Journal of Biosciences (IJB),
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An in vitro assessment of antibacterial, antifungal and cytotoxic effects of D-glucopyranoside derivatives
International Journal of Biosciences (IJB),
2018
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