Novel Antiviral Agents: Synthesis, Molecular Modelling Studies and Biological Investigation

by Simone Brogi
Published 2023-10-01

Computational Approaches for Drug Discovery

by Simone Brogi
Published 2019-08-01

Artificial Intelligence in Translational Medicine

by Simone Brogi, Vincenzo Calderone
Published 2021-11-01

Computation to Fight SARS-CoV-2 (COVID-19)

by Simone Brogi, Vincenzo Calderone
Published 2023-09-01

Targeting Opioid Receptors in Addiction and Drug Withdrawal: Where Are We Going?

by Rita Tabanelli, Simone Brogi, Vincenzo Calderone
Published 2023-06-01

Improving Curcumin Bioavailability: Current Strategies and Future Perspectives

by Rita Tabanelli, Simone Brogi, Vincenzo Calderone
Published 2021-10-01

Disruption of Irisin Dimerization by FDA-Approved Drugs: A Computational Repurposing Approach for the Potential Treatment of Lipodystrophy Syndromes

by Lorenzo Flori, Simone Brogi, Hajar Sirous, Vincenzo Calderone
Published 2023-04-01

Identification of Sesamin from <i>Sesamum indicum</i> as a Potent Antifungal Agent Using an Integrated in Silico and Biological Screening Platform

by Khushbu Wadhwa, Hardeep Kaur, Neha Kapoor, Simone Brogi
Published 2023-06-01

Structure-Based High-Throughput Virtual Screening and Molecular Dynamics Simulation for the Discovery of Novel SARS-CoV-2 NSP3 Mac1 Domain Inhibitors

by Behnaz Yazdani, Hajar Sirous, Simone Brogi, Vincenzo Calderone
Published 2023-11-01

In Silico Identification of Natural Products and World-Approved Drugs Targeting the KEAP1/NRF2 Pathway Endowed with Potential Antioxidant Profile

by Simone Brogi, Ilaria Guarino, Lorenzo Flori, Hajar Sirous, Vincenzo Calderone
Published 2023-12-01

Development of In Vitro Corneal Models: Opportunity for Pharmacological Testing

by Valentina Citi, Eugenia Piragine, Simone Brogi, Sara Ottino, Vincenzo Calderone
Published 2020-11-01

Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors

by Hajar Sirous, Giuseppe Campiani, Simone Brogi, Vincenzo Calderone, Giulia Chemi
Published 2020-04-01

Role of hydrogen sulfide in endothelial dysfunction: Pathophysiology and therapeutic approaches

by Valentina Citi, Alma Martelli, Era Gorica, Simone Brogi, Lara Testai, Vincenzo Calderone
Published 2021-01-01

Editorial: In silico Methods for Drug Design and Discovery

by Simone Brogi, Teodorico Castro Ramalho, Kamil Kuca, José L. Medina-Franco, Marian Valko
Published 2020-08-01

Editorial: Advances in green synthesis for drug discovery

by Florent Allais, Simone Brogi, Guillermo Raul Castro, Guillermo Raul Castro, Veroniki P. Vidali
Published 2023-03-01

Covalent Reversible Inhibitors of Cysteine Proteases Containing the Nitrile Warhead: Recent Advancement in the Field of Viral and Parasitic Diseases

by Simone Brogi, Roberta Ibba, Sara Rossi, Stefania Butini, Vincenzo Calderone, Sandra Gemma, Giuseppe Campiani
Published 2022-04-01

Globospiramine Exhibits Inhibitory and Fungicidal Effects against <i>Candida albicans</i> via Apoptotic Mechanisms

by Joe Anthony H. Manzano, Simone Brogi, Vincenzo Calderone, Allan Patrick G. Macabeo, Nicanor Austriaco
Published 2024-05-01

In Silico Analysis of Peptide-Based Derivatives Containing Bifunctional Warheads Engaging Prime and Non-Prime Subsites to Covalent Binding SARS-CoV-2 Main Protease (M^pro...

by Simone Brogi, Sara Rossi, Roberta Ibba, Stefania Butini, Vincenzo Calderone, Giuseppe Campiani, Sandra Gemma
Published 2022-05-01

Dopamine D3 receptor antagonists as potential therapeutics for the treatment of neurological diseases

by Samuele Maramai, Sandra Gemma, Simone Brogi, Giuseppe Campiani, Stefania Butini, Holger Stark, Margherita Brindisi
Published 2016-10-01

The green chemistry of chalcones: Valuable sources of privileged core structures for drug discovery

by Ludovica Marotta, Sara Rossi, Roberta Ibba, Simone Brogi, Vincenzo Calderone, Stefania Butini, Giuseppe Campiani, Sandra Gemma
Published 2022-09-01