0000000000054339

AUTHOR

Adib Ghaleb

showing 2 related works from this author

In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADME…

2020

The new coronavirus SARS-CoV-2 virus is causing a severe pneumonia in human, provoking the serious outbreak epidemic CoV-2. Since its appearance in Wuhan, China on December 2019, CoV-2 becomes the biggest challenge the world is facing today, including the discovery of antiviral drug for SARS-CoV-2. In this study, the potential inhibitory of a class of human SARS inhibitors, namely pyridine N-oxide derivatives, against CoV-2 was addressed by quantitative structure-activity relationship 3 D-QSAR. The reliable CoMSIA developed model of 110 pyridine N-oxide based-antiviral compounds, showed Q

Quantitative structure–activity relationship2019-20 coronavirus outbreakCoronavirus disease 2019 (COVID-19)PyridinesvirusesIn silicoSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)030303 biophysicsQuantitative Structure-Activity Relationshipmedicine.disease_causeAntiviral Agents03 medical and health sciencesStructural BiologymedicineHumansProtease InhibitorsMolecular BiologyCoronavirus0303 health sciencesSARS-CoV-2ChemistryDrug discoveryCOVID-19virus diseasesGeneral Medicinerespiratory systembiochemical phenomena metabolism and nutritionVirologyrespiratory tract diseasesMolecular Docking SimulationJournal of Biomolecular Structure and Dynamics
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Click synthesis, anticancer activity, and molecular docking investigation of some functional 1,2,3-triazole derivatives

2021

1,2,3-triazole skeleton is a privileged building block for the discovery of new promising anticancer agents. In this report, new 1,4-disubstituted 1,2,3-triazoles with the bioisoster triazole moiety were straightforwardly prepared under copper-catalyzed azide-alkyne [3+2] cycloaddition reactions (CuAAC) regime using a variety of both functional organic azides and terminal alkynes. The resulting functional 1,4-disubstituted 1,2,3-triazole compounds were fully characterized and subsequently tested for their antiproliferative activity against four different cancer cell lines. The cytotoxicity tests carried out with these 1,2,3-triazole derivatives show average IC50 values ranging from 15 to 50…

Molecular MedicineQuímicaMolecular BiologyBiochemistryBiotechnology
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