Eleni Pitsillou

发表

Interaction of small molecules with the SARS-CoV-2 papain-like protease: In silico studies and in vitro validation of protease activity inhibition using an enzymatic inhibition assay

Julia Liang, Eleni Pitsillou, Andrew Hung, 2021, Journal of Molecular Graphics and Modelling.

Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface

T. Karagiannis, A. Hung, K. Ng, 2020, Computational Biology and Chemistry.

Chromatin modification by olive phenolics: In silico molecular docking studies utilising the phenolic groups categorised in the OliveNet™ database against lysine specific demethylase enzymes.

T. Karagiannis, A. Hung, Eleni Pitsillou, 2020, Journal of molecular graphics & modelling.

Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro Enzymatic Activity Assay

K. W. Lim, T. Karagiannis, A. Hung, 2020, Frontiers in Chemistry.

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

T. Karagiannis, Eleni Pitsillou, Julia J. Liang, 2022, Computers in Biology and Medicine.

Sulforaphane prevents and reverses allergic airways disease in mice via anti-inflammatory, antioxidant, and epigenetic mechanisms

A. El-Osta, J. Vongsvivut, T. Karagiannis, 2021, Cellular and Molecular Life Sciences.

Interaction of small molecules with the SARS-CoV-2 main protease in silico and in vitro validation of potential lead compounds using an enzyme-linked immunosorbent assay

T. Karagiannis, A. Hung, K. Ng, 2020, Computational Biology and Chemistry.

Molecular docking utilising the OliveNet™ library reveals novel phenolic compounds which may potentially target key proteins associated with major depressive disorder

Julia Liang, Eleni Pitsillou, Andrew Hung, 2020, Comput. Biol. Chem..

The SARS-CoV-2 helicase as a target for antiviral therapy: Identification of potential small molecule inhibitors by in silico modelling

T. Karagiannis, Eleni Pitsillou, Julia J. Liang, 2022, Journal of Molecular Graphics and Modelling.

Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer's disease

Julia Liang, Eleni Pitsillou, Andrew Hung, 2020, Comput. Biol. Chem..

The cellular and molecular basis of major depressive disorder: towards a unified model for understanding clinical depression

T. Karagiannis, A. Hung, Eleni Pitsillou, 2019, Molecular Biology Reports.

Olive fruit and olive oil bioactive polyphenols in the promotion of health

T. Karagiannis, Eleni Pitsillou, N. B. Ray, 2022, Functional Foods and Nutraceuticals in Metabolic and Non-Communicable Diseases.

The circadian machinery links metabolic disorders and depression: A review of pathways, proteins and potential pharmacological interventions.

T. Karagiannis, A. Hung, Eleni Pitsillou, 2020, Life sciences.

Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity

T. Karagiannis, A. Hung, Eleni Pitsillou, 2022, Comput. Biol. Medicine.

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

Julia Liang, Eleni Pitsillou, Andrew Hung, 2020, Computational Biology and Chemistry.

Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules: In silico studies

T. Karagiannis, A. Hung, Eleni Pitsillou, 2021, Chemical Physics Letters.

Small molecule interactions with the SARS-CoV-2 main protease: In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition

V. Guallar, T. Karagiannis, A. Hung, 2021, Journal of Molecular Graphics and Modelling.

Identification of dietary compounds that interact with the circadian clock machinery: Molecular docking and structural similarity analysis.

T. Karagiannis, A. Hung, Eleni Pitsillou, 2023, Journal of molecular graphics & modelling.

In silico investigation of potential small molecule inhibitors of the SARS-CoV-2 nsp10-nsp16 methyltransferase complex

T. Karagiannis, A. Hung, Eleni Pitsillou, 2021, Chemical Physics Letters.

Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibition

V. Guallar, T. Karagiannis, A. Hung, 2021, Chemical Physics Letters.

In silico investigation to identify potential small molecule inhibitors of the RNA-dependent RNA polymerase (RdRp) nidovirus RdRp-associated nucleotidyltransferase domain

T. Karagiannis, A. Hung, Eleni Pitsillou, 2021, Chemical Physics Letters.

Characterization of K562 cells: uncovering novel chromosomes, assessing transferrin receptor expression, and probing pharmacological therapies

A. El-Osta, J. Vongsvivut, Stephanie M. Tortorella, 2023, Cellular and Molecular Life Sciences.

Characterization of K562 cells: uncovering novel chromosomes, assessing transferrin receptor expression, and probing pharmacological therapies

A. El-Osta, J. Vongsvivut, Stephanie M. Tortorella, 2023, Cellular and Molecular Life Sciences.

The cellular and molecular basis of major depressive disorder: towards a unified model for understanding clinical depression

T. Karagiannis, A. Hung, Eleni Pitsillou, 2019, Molecular Biology Reports.

Chronicling the 3-year evolution of the COVID-19 pandemic: analysis of disease management, characteristics of major variants, and impacts on pathogenicity

T. Karagiannis, Eleni Pitsillou, Yiping Yu, 2023, Clinical and Experimental Medicine.

EpiMed Coronabank Chemical Collection: Compound selection, ADMET analysis, and utilisation in the context of potential SARS-CoV-2 antivirals.

T. Karagiannis, Eleni Pitsillou, Julia J. Liang, 2023, Journal of molecular graphics & modelling.

A repository of COVID-19 related molecular dynamics simulations and utilisation in the context of nsp10-nsp16 antivirals.

T. Karagiannis, Eleni Pitsillou, Julia J. Liang, 2023, Journal of molecular graphics & modelling.

Utilization of the EpiMed Coronabank Chemical Collection to identify potential SARS-CoV-2 antivirals: in silico studies targeting the nsp14 ExoN domain and PLpro naphthalene binding site.

Eleni Pitsillou, Julia J. Liang, Andrew Hung, 2024, Journal of molecular graphics & modelling.

Investigation of the Anti-Inflammatory Properties of Bioactive Compounds from Olea europaea: In Silico Evaluation of Cyclooxygenase Enzyme Inhibition and Pharmacokinetic Profiling

A. El-Osta, Eleni Pitsillou, Julia J. Liang, 2024, Molecules.

Identification and Evaluation of Olive Phenolics in the Context of Amine Oxidase Enzyme Inhibition and Depression: In Silico Modelling and In Vitro Validation

A. El-Osta, Eleni Pitsillou, Julia J. Liang, 2024, Molecules.

Identification of Potential Modulators of a Pathogenic G Protein-Gated Inwardly Rectifying K+ Channel 4 Mutant: In Silico Investigation in the Context of Drug Discovery for Hypertension

A. El-Osta, T. Karagiannis, Eleni Pitsillou, 2023, Molecules.

Alpha-lipoic acid analogues in the regulation of redox balance in epilepsy: A molecular docking and simulation study.

P. Kwan, T. Karagiannis, A. Hung, 2021, Journal of molecular graphics & modelling.