Simona De Vita

13PUBLICATIONS
29CO-AUTHORS
Predictive and prognostic markersCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesBiomolecular modelling and designNatural products and bioactive compounds
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Publications (13)

|Feb 27, 2026
Discovery of New Antioxidant Molecules Enhancing the Nrf2-Mediated Pathway: Docking Studies and Biological Evaluation.

Simona De Vita, Elena González-Burgos, Stefania Terracciano

|Jul 24, 2025
Untargeted Diversity-Oriented Synthesis for the Discovery of New Antitumor Agents: An Integrated Approach of Inverse Virtual Screening, Bioinformatics, and Omics for Target Deconvolution.

Tania Ciaglia, Valeria Napolitano, Maria Rosaria Miranda

|Jul 12, 2025
Exploring the Potential of Phytocannabinoids Against Multidrug-Resistant Bacteria.

Carmina Sirignano, Simona De Vita, Ernesto Gargiulo

|May 10, 2024
PharmaCore: The Automatic Generation of 3D Structure-Based Pharmacophore Models from Protein/Ligand Complexes.

Simona De Vita, Ester Colarusso, Maria Giovanna Chini

|Nov 25, 2023
Demethylcalabaxanthone from Garcinia mangostana Exerts Antioxidant Effects through the Activation of the Nrf2 Pathway as Assessed via Molecular Docking and Biological Evaluation.

Simona De Vita, Milena Masullo, Sabrina Grambone

|Jul 09, 2022
Phytochemical Analysis of the Methanolic Extract and Essential Oil from Leaves of Industrial Hemp Futura 75 Cultivar: Isolation of a New Cannabinoid Derivative and Biological Profile Using Computational Approaches.

Simona De Vita, Claudia Finamore, Maria Giovanna Chini

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Frequent Collaborators

8 joint publications

Gianluigi Lauro

5 joint publications

Giuseppe Bifulco

3 joint publications

Maria Iorizzi

2 joint publications

Maria Giovanna Chini