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Viruses|December 23, 2023
Structure-Based High-Throughput Virtual Screening and Molecular Dynamics Simulation for the Discovery of Novel SARS-CoV-2 NSP3 Mac1 Domain InhibitorsBehnaz Yazdani, Hajar Sirous, Simone Brogi, et al.
Food & Function|August 29, 2020
Amyloid β fibril disruption by oleuropein aglycone: long-time molecular dynamics simulation to gain insight into the mechanism of action of this polyphenol from extra virgin olive oilSimone Brogi, Hajar Sirous, Vincenzo Calderone, et al.
European Journal of Medicinal Chemistry|July 25, 2013
3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitorsSimone Brogi, Panagiota Papazafiri, Vassilios Roussis, et al.
Molecules (Basel, Switzerland)|June 28, 2023
Identification of Sesamin from <i>Sesamum indicum</i> as a Potent Antifungal Agent Using an Integrated in Silico and Biological Screening PlatformKhushbu Wadhwa, Hardeep Kaur, Neha Kapoor, et al.
ACS Medicinal Chemistry Letters|March 21, 2019
Allosteric Modulation of Ionotropic Glutamate Receptors: An Outlook on New Therapeutic Approaches To Treat Central Nervous System DisordersSimone Brogi, Giuseppe Campiani, Margherita Brindisi, et al.
International Journal of Molecular Sciences|April 28, 2023
Disruption of Irisin Dimerization by FDA-Approved Drugs: A Computational Repurposing Approach for the Potential Treatment of Lipodystrophy SyndromesLorenzo Flori, Simone Brogi, Hajar Sirous, et al.
Foods (Basel, Switzerland)|July 13, 2024
Intermittent Fasting: Myths, Fakes and Truth on This Dietary Regimen ApproachSimone Brogi, Rita Tabanelli, Sara Puca, et al.
Frontiers in Pharmacology|December 16, 2014
Discovery of GPCR ligands for probing signal transduction pathwaysSimone Brogi, Andrea Tafi, Laurent Désaubry, et al.
RSC Advances|January 19, 2024
Lithocholic acid derivatives as potent modulators of the nuclear receptor RORγtSomaya A Abdel-Rahman, Simone Brogi, Moustafa T Gabr
Molecules (Basel, Switzerland)|April 26, 2020
Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 InhibitorsHajar Sirous, Giuseppe Campiani, Simone Brogi, et al.
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