Eleni Pitsillou
According to our database1,
Eleni Pitsillou
authored at least 7 papers
between 2020 and 2022.
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Bibliography
2022
Identification of novel bioactive compounds from <i>Olea europaea</i> by evaluation of chemical compounds in the OliveNet™ library: <i>in silico</i> bioactivity and molecular modelling, and <i>in vitro</i> validation of hERG activity.
Comput. Biol. Medicine, 2022
Molecular dynamics simulations highlight the altered binding landscape at the spike-ACE2 interface between the Delta and Omicron variants compared to the SARS-CoV-2 original strain.
Comput. Biol. Medicine, 2022
2020
Interaction of small molecules with the SARS-CoV-2 main protease <i>in silico</i> and <i>in vitro</i> validation of potential lead compounds using an enzyme-linked immunosorbent assay.
Comput. Biol. Chem., 2020
Molecular docking utilising the OliveNet™ library reveals novel phenolic compounds which may potentially target key proteins associated with major depressive disorder.
Comput. Biol. Chem., 2020
Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer's disease.
Comput. Biol. Chem., 2020
Interaction of the prototypical α-ketoamide inhibitor with the SARS-CoV-2 main protease active site in silico: Molecular dynamic simulations highlight the stability of the ligand-protein complex.
Comput. Biol. Chem., 2020
Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface.
Comput. Biol. Chem., 2020