| Titolo |
Pubblicato in |
Anno |
| Transcriptomic and genomic studies classify NKL54 as a histone deacetylase inhibitor with indirect influence on MEF2-dependent transcription |
NUCLEIC ACIDS RESEARCH |
2022 |
| Human estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related antiestrogens as breast cancer suppressants |
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY |
2022 |
| Targeting the anti-apoptotic Bcl-2 family proteins: Machine learning virtual screening and biological evaluation of new small molecules |
THERANOSTICS |
2022 |
| Pinus mugo Essential Oil Impairs STAT3 Activation through Oxidative Stress and Induces Apoptosis in Prostate Cancer Cells |
MOLECULES |
2022 |
| Bovine serum amine oxidase and polyamine analogues: chemical synthesis and biological evaluation integrated with molecular docking and 3-D QSAR studies |
JOURNAL OF CHEMICAL INFORMATION AND MODELING |
2022 |
| Ligand-based and structure-based studies to develop predictive models for {SARS}-{CoV}-2 main protease inhibitors through the 3d-qsar.com portal |
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN |
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 |
MOLECULES |
2022 |
| 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 chemical components in bioactive essential oils |
MOLECULES |
2021 |
| A comparative analysis of punicalagin interaction with PDIA1 and PDIA3 by biochemical and computational approaches |
BIOMEDICINES |
2021 |
| Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies |
JOURNAL OF CHEMICAL INFORMATION AND MODELING |
2021 |
| Gas-phase structures and thermochemical properties of protonated 5-hmf isomers |
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY |
2020 |
| Experimental data based machine learning classification models with predictive ability to select in vitro active antiviral and non-toxic essential oils |
MOLECULES |
2020 |
| Identification of Inhibitors to trypanosoma cruzi sirtuins based on compounds developed to human enzymes |
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES |
2020 |
| The anti-STAT1 polyphenol myricetin inhibits M1 microglia activation and counteracts neuronal death |
THE FEBS JOURNAL |
2020 |
| Development of alkyl glycerone phosphate synthase inhibitors: Structure-activity relationship and effects on ether lipids and epithelial-mesenchymal transition in cancer cells |
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY |
2019 |
| Ab-initio and experimental study of pentose sugar dehydration mechanism in the gas phase |
CARBOHYDRATE RESEARCH |
2018 |
