Experimental data based machine learning classification models with predictive ability to select in vitro active antiviral and non-toxic essential oils M Sabatino, M Fabiani, M Božović, S Garzoli, L Antonini, ME Marcocci, ... Molecules 25 (10), 2452, 2020 | 23 | 2020 |
Targeting the anti-apoptotic Bcl-2 family proteins: machine learning virtual screening and biological evaluation of new small molecules E Valentini, S D'Aguanno, M Di Martile, C Montesano, V Ferraresi, ... Theranostics 12 (5), 2427, 2022 | 18 | 2022 |
Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells G Stazi, C Battistelli, V Piano, R Mazzone, B Marrocco, S Marchese, ... European Journal of Medicinal Chemistry 163, 722-735, 2019 | 18 | 2019 |
The anti‐STAT1 polyphenol myricetin inhibits M1 microglia activation and counteracts neuronal death D Boriero, A Carcereri de Prati, L Antonini, R Ragno, K Sohji, S Mariotto, ... The FEBS Journal 288 (7), 2347-2359, 2021 | 17 | 2021 |
Pinus mugo Essential Oil Impairs STAT3 Activation through Oxidative Stress and Induces Apoptosis in Prostate Cancer Cells MA Thalappil, E Butturini, A Carcereri de Prati, I Bettin, L Antonini, ... Molecules 27 (15), 4834, 2022 | 14 | 2022 |
Transcriptomic and genomic studies classify NKL54 as a histone deacetylase inhibitor with indirect influence on MEF2-dependent transcription M Minisini, E Di Giorgio, E Kerschbamer, E Dalla, M Faggiani, E Franforte, ... Nucleic acids research 50 (5), 2566-2586, 2022 | 13 | 2022 |
Ab-initio and experimental study of pentose sugar dehydration mechanism in the gas phase L Antonini, S Garzoli, A Ricci, A Troiani, C Salvitti, P Giacomello, R Ragno, ... Carbohydrate research 458, 19-28, 2018 | 13 | 2018 |
First-in-class inhibitors of the ribosomal oxygenase MINA53 RP Nowak, A Tumber, E Hendrix, MSZ Ansari, M Sabatino, L Antonini, ... Journal of Medicinal Chemistry 64 (23), 17031-17050, 2021 | 12 | 2021 |
Human estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related … N Kurtanović, N Tomašević, S Matić, MM Mitrović, DA Kostić, M Sabatino, ... European journal of medicinal chemistry 227, 113869, 2022 | 8 | 2022 |
Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure … N Mihović, N Tomašević, S Matić, MM Mitrovic, DA Kostić, M Sabatino, ... Journal of chemical information and modeling 61 (10), 5028-5053, 2021 | 8 | 2021 |
Identification of inhibitors to trypanosoma cruzi sirtuins based on compounds developed to human enzymes TM Bastos, MBP Soares, CH Franco, L Alcântara, L Antonini, M Sabatino, ... International Journal of Molecular Sciences 21 (10), 2020 | 7 | 2020 |
Identification of Inhibitors to Trypanosoma cruzi Sirtuins Based on Compounds Developed to Human Enzymes T Matutino Bastos, M Botelho Pereira Soares, C Haddad Franco, ... International Journal of Molecular Sciences 21 (10), 3659, 2020 | 6 | 2020 |
Ligand-based and structure-based studies to develop predictive models for SARS-CoV-2 main protease inhibitors through the 3d-qsar. com portal E Proia, A Ragno, L Antonini, M Sabatino, M Mladenovič, R Capobianco, ... Journal of Computer-Aided Molecular Design 36 (7), 483-505, 2022 | 5 | 2022 |
Human Estrogen Receptor Alpha Antagonists, Part 3: 3-D Pharmacophore and 3-D QSAR Guided Brefeldin A Hit-to-Lead Optimization toward New Breast Cancer Suppressants N Kurtanović, N Tomašević, S Matić, E Proia, M Sabatino, L Antonini, ... Molecules 27 (9), 2823, 2022 | 5 | 2022 |
Pinus mugo essential oil impairs STAT3 activation through oxidative stress and induces apoptosis in prostate cancer cells I Bettin, L Antonini, FU Sapienza, S Garzoli, R Ragno, S Mariotto Molecules 27, 4834, 2022 | 5 | 2022 |
Gas-phase structures and thermochemical properties of protonated 5-HMF isomers S Garzoli, L Antonini, A Troiani, C Salvitti, P Giacomello, A Patsilinakos, ... International Journal of Mass Spectrometry 447, 116237, 2020 | 5 | 2020 |
A comparative analysis of punicalagin interaction with PDIA1 and PDIA3 by biochemical and computational approaches G Paglia, L Antonini, L Cervoni, R Ragno, M Sabatino, M Minacori, ... Biomedicines 9 (11), 1533, 2021 | 3 | 2021 |
Machine learning data augmentation as a tool to enhance quantitative composition–activity relationships of complex mixtures. A new application to dissect the role of main … A Ragno, A Baldisserotto, L Antonini, M Sabatino, F Sapienza, E Baldini, ... Molecules 26 (20), 6279, 2021 | 3 | 2021 |
Gas phase structures and thermochemical parameters of protonated 5-hmf isomers F Pepi, S Garzoli, P Giacomello, G de Petris, A Troiani, R Ragno, ... Abstract book-xxii international mass spectrometry conference, 953-954, 2018 | | 2018 |