| The cellular and molecular basis of major depressive disorder: towards a unified model for understanding clinical depression E Pitsillou, SM Bresnehan, EA Kagarakis, SJ Wijoyo, J Liang, A Hung, ... Molecular biology reports 47, 753-770, 2020 | 187 | 2020 |
| 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 … E Pitsillou, J Liang, K Ververis, KW Lim, A Hung, TC Karagiannis Frontiers in chemistry 8, 623971, 2020 | 68 | 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 … J Liang, E Pitsillou, C Karagiannis, KK Darmawan, K Ng, A Hung, ... Computational biology and chemistry 87, 107292, 2020 | 60 | 2020 |
| OliveNet™: a comprehensive library of compounds from Olea europaea NP Bonvino, J Liang, ED McCord, E Zafiris, N Benetti, NB Ray, A Hung, ... Database 2018, bay016, 2018 | 56 | 2018 |
| 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 E Pitsillou, J Liang, C Karagiannis, K Ververis, KK Darmawan, K Ng, ... Computational Biology and Chemistry 89, 107408, 2020 | 54 | 2020 |
| 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 … E Pitsillou, J Liang, K Ververis, A Hung, TC Karagiannis Journal of Molecular Graphics and Modelling 104, 107851, 2021 | 39 | 2021 |
| Site mapping and small molecule blind docking reveal a possible target site on the SARS-CoV-2 main protease dimer interface J Liang, C Karagiannis, E Pitsillou, KK Darmawan, K Ng, A Hung, ... Computational biology and chemistry 89, 107372, 2020 | 31 | 2020 |
| 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 E Pitsillou, JJ Liang, RC Beh, A Hung, TC Karagiannis Computers in Biology and Medicine 149, 106035, 2022 | 17 | 2022 |
| The circadian machinery links metabolic disorders and depression: a review of pathways, proteins and potential pharmacological interventions E Pitsillou, J Liang, A Hung, TC Karagiannis Life Sciences 265, 118809, 2021 | 16 | 2021 |
| 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 JJ Liang, E Pitsillou, K Ververis, V Guallar, A Hung, TC Karagiannis Chemical Physics Letters 788, 139294, 2022 | 13 | 2022 |
| In silico investigation of potential small molecule inhibitors of the SARS-CoV-2 nsp10-nsp16 methyltransferase complex J Liang, E Pitsillou, L Burbury, A Hung, TC Karagiannis Chemical Physics Letters 774, 138618, 2021 | 12 | 2021 |
| Sulforaphane prevents and reverses allergic airways disease in mice via anti-inflammatory, antioxidant, and epigenetic mechanisms SG Royce, PV Licciardi, RC Beh, JE Bourke, C Donovan, A Hung, ... Cellular and Molecular Life Sciences 79 (11), 579, 2022 | 9 | 2022 |
| The SARS-CoV-2 helicase as a target for antiviral therapy: Identification of potential small molecule inhibitors by in silico modelling E Pitsillou, J Liang, A Hung, TC Karagiannis Journal of Molecular Graphics and Modelling 114, 108193, 2022 | 9 | 2022 |
| 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 … J Liang, E Pitsillou, K Ververis, V Guallar, A Hung, TC Karagiannis Journal of Molecular Graphics and Modelling 110, 108050, 2022 | 9 | 2022 |
| 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 E Pitsillou, J Liang, A Hung, TC Karagiannis Chemical physics letters 771, 138468, 2021 | 8 | 2021 |
| In silico characterisation of olive phenolic compounds as potential cyclooxygenase modulators. Part 1 J Liang, NP Bonvino, A Hung, TC Karagiannis Journal of Molecular Graphics and Modelling 101, 107719, 2020 | 8 | 2020 |
| Utilisation of the OliveNet™ Library to investigate phenolic compounds using molecular modelling studies in the context of Alzheimer’s disease J Liang, E Pitsillou, AYL Man, S Madzima, SM Bresnehan, ME Nakai, ... Computational Biology and Chemistry 87, 107271, 2020 | 6 | 2020 |
| Exploration of mechanisms in nutriepigenomics: Identification of chromatin-modifying compounds from Olea Europaea. NP Bonvino, NB Ray, VT Luu, J Liang, A Hung, TC Karagiannis Hellenic Journal of Nuclear Medicine 18, 51-62, 2015 | 6 | 2015 |
| Alpha-lipoic acid analogues in the regulation of redox balance in epilepsy: A molecular docking and simulation study MS Javaid, A Antonic-Baker, E Pitsillou, J Liang, C French, A Hung, ... Journal of Molecular Graphics and Modelling 112, 108116, 2022 | 5 | 2022 |
| Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNet™ library: in silico bioactivity and molecular modelling, and … E Pitsillou, JJ Liang, RC Beh, J Prestedge, S Catak, A Hung, ... Computers in Biology and Medicine 142, 105247, 2022 | 5 | 2022 |
