| Structure-based 3D-Pharmacophore modeling to discover novel interleukin 6 inhibitors: An in silico screening, molecular dynamics simulations and binding free energy calculations QH Tran, QT Nguyen, NQH Vo, TT Mai, TTN Tran, TD Tran, MT Le, ... PLoS One 17 (4), e0266632, 2022 | 31 | 2022 |
| Synthesis, in silico and in vitro evaluation of some flavone derivatives for acetylcholinesterase and BACE-1 inhibitory activity TS Tran, TD Tran, TH Tran, TT Mai, NL Nguyen, KM Thai, MT Le Molecules 25 (18), 4064, 2020 | 23 | 2020 |
| Flavonoids as dual-target inhibitors against α-glucosidase and α-amylase: a systematic review of in vitro studies TP Lam, NVN Tran, LHD Pham, NVT Lai, BTN Dang, NLN Truong, ... Natural Products and Bioprospecting 14 (1), 4, 2024 | 21 | 2024 |
| Structure-based discovery of interleukin-33 inhibitors: a pharmacophore modelling, molecular docking, and molecular dynamics simulation approach MT Le, TT Mai, PNH Huynh, TD Tran, KM Thai, QT Nguyen SAR and QSAR in Environmental Research 31 (12), 883-904, 2020 | 19 | 2020 |
| Three-and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks KM Thai, NT Huynh, TD Ngo, TT Mai, TH Nguyen, TD Tran SAR and QSAR in Environmental Research 26 (2), 139-163, 2015 | 15 | 2015 |
| Discovery of small molecular inhibitors for interleukin-33/ST2 protein–protein interaction: A virtual screening, molecular dynamics simulations and binding free energy calculations TT Mai, PG Nguyen, MT Le, TD Tran, PNH Huynh, DTT Trinh, QT Nguyen, ... Molecular Diversity, 1-20, 2022 | 14 | 2022 |
| Identification of diosmin and flavin adenine dinucleotide as repurposing treatments for monkeypox virus: a computational study TP Lam, VH Tran, TT Mai, NVT Lai, BTN Dang, MT Le, TD Tran, DTT Trinh, ... International Journal of Molecular Sciences 23 (19), 11570, 2022 | 11 | 2022 |
| Exploration of chalcones as 3-chymotrypsin-like protease (3CLpro) inhibitors of SARS-CoV-2 using computational approaches TP Lam, DN Nguyen, TT Mai, TD Tran, MT Le, PNH Huynh, DT Nguyen, ... Structural Chemistry 33 (5), 1707-1725, 2022 | 8 | 2022 |
| Discovery of novel flavonoid derivatives as potential dual inhibitors against α-glucosidase and α-amylase: virtual screening, synthesis, and biological evaluation TT Mai, MH Phan, TT Thai, TP Lam, NVT Lai, TT Nguyen, TVP Nguyen, ... Molecular Diversity 28 (3), 1629-1650, 2024 | 6 | 2024 |
| Chalcone Derivatives as Potential Inhibitors of P‐Glycoprotein and NorA: An In Silico and In Vitro Study MT Le, DTT Trinh, TD Ngo, VK Tran-Nguyen, DN Nguyen, T Hoang, ... BioMed Research International 2022 (1), 9982453, 2022 | 6 | 2022 |
| Toward Unveiling Putative Binding Sites of Interleukin-33: Insights from Mixed-Solvent Molecular Dynamics Simulations of the Interleukin-1 Family TT Mai, TP Lam, LHD Pham, KH Nguyen, QT Nguyen, MT Le, KM Thai The Journal of Physical Chemistry B 128 (35), 8362-8375, 2024 | | 2024 |
| Recent Advances in Computational Modeling of Multi-targeting Inhibitors as Anti-Alzheimer Agents KM Thai, TS Tran, TH Tran, TCN Cao, HN Ho, PNH Huynh, TT Mai, ... Computational Modeling of Drugs Against Alzheimer’s Disease, 231-277, 2023 | | 2023 |
| Research Article Chalcone Derivatives as Potential Inhibitors of P-Glycoprotein and NorA: An In Silico and In Vitro Study MT Le, DTT Trinh, TD Ngo, VK Tran-Nguyen, DN Nguyen, T Hoang, ... | | 2022 |
| Flavonoids as dual-target inhibitors against alpha-glucosidase and alpha-amylase: a systematic review of in vitro research protocol TD Tran, TT Mai | | |
