Furazanopyrazine-based novel promising anticancer agents interfering with the eicosanoid biosynthesis pathways by dual mPGES-1 and sEH inhibition

Authors: Lauro, Gianluigi ^{a, 1}, Aliberti, Michela ^{a, 1}, De Nisco, Mauro ^b, Pedatella, Silvana ^c, Pepe, Giacomo ^a, Basilicata, Manuela Giovanna ^d, Chini, Maria Giovanna ^e, Fischer, Katrin ^f, Hofstetter, Robert K. ^f, Werz, Oliver ^f, Ferraro, Maria Grazia ^g, Piccolo, Marialuisa ^h, Irace, Carlo ^h, Saviano, Anella ⁱ, Campiglia, Pietro ^a, Bertamino, Alessia ^a, Ostacolo, Carmine ^a, Ciaglia, Tania ^a, Manfra, Michele ^{b, ⁎}, Bifulco, Giuseppe ^{a, ⁎⁎}

Source: In European Journal of Medicinal Chemistry 5 May 2025 289

2-Substituted 1,5-benzothiazepine-based HDAC inhibitors exert anticancer activities on human solid and acute myeloid leukemia cell lines

Authors: De Vita, Simona, Meninno, Sara, Capasso, Lucia, Colarusso, Ester, Chini, Maria Giovanna, Lauro, Gianluigi, Rinaldi, Romolo, De Cicco, Annalisa, Sian, Veronica, Terracciano, Stefania, Nebbioso, Angela, Lattanzi, Alessandra, Bifulco, Giuseppe

Source: In Bioorganic & Medicinal Chemistry 1 October 2023 93

Exploring the chemical space of functionalized [1,2,4]triazolo[4,3-a]quinoxaline-based compounds targeting the bromodomain of BRD9

Authors: Gazzillo, Erica, Pierri, Martina, Colarusso, Ester, Chini, Maria Giovanna, Ferraro, Maria Grazia, Piccolo, Marialuisa, Irace, Carlo, Bruno, Ines, Bifulco, Giuseppe, Terracciano, Stefania, Lauro, Gianluigi

Source: In Bioorganic Chemistry October 2023 139

Target identification by structure-based computational approaches: Recent advances and perspectives

Authors: De Vita, Simona, Chini, Maria Giovanna, Bifulco, Giuseppe, Lauro, Gianluigi

Source: In Bioorganic & Medicinal Chemistry Letters 1 March 2023 83

Identification and Development of BRD9 Chemical Probes.

Authors: Colarusso, Ester¹ (AUTHOR) ecolarusso@unisa.it, Chini, Maria Giovanna² (AUTHOR) mariagiovanna.chini@unimol.it, Bifulco, Giuseppe¹ (AUTHOR) bifulco@unisa.it, Lauro, Gianluigi¹ (AUTHOR) glauro@unisa.it, Giordano, Assunta³ (AUTHOR) assunta.giordano@cnr.it

Source: Pharmaceuticals (14248247). Mar2024, Vol. 17 Issue 3, p392. 31p.

Subject Terms: *STRUCTURE-activity relationships, *DRUG discovery, *CARRIER proteins, *SMALL molecules, *GENE expression, *CHROMATIN-remodeling complexes

Thiazolidin-4-one-based compounds interfere with the eicosanoid biosynthesis pathways by mPGES-1/sEH/5-LO multi-target inhibition

Authors: Colarusso, Ester, Potenza, Marianna, Lauro, Gianluigi, Chini, Maria Giovanna, Sepe, Valentina, Zampella, Angela, Fischer, Katrin, Hofstetter, Robert K., Werz, Oliver, Bifulco, Giuseppe

Source: In European Journal of Medicinal Chemistry Reports August 2022 5

5‐methyl‐2‐carboxamidepyrrole‐based novel dual mPGES‐1/sEH inhibitors as promising anticancer candidates.

Authors: Colarusso, Ester, Lauro, Gianluigi, Potenza, Marianna, Galatello, Paola, Garigliota, Maria Luisa d'Aulisio, Ferraro, Maria Grazia, Piccolo, Marialuisa, Chini, Maria Giovanna, Irace, Carlo, Campiglia, Pietro, Hoffstetter, Robert Klaus, Werz, Oliver, Ramunno, Anna, Bifulco, Giuseppe

Source: Archiv der Pharmazie; Jan2025, Vol. 358 Issue 1, p1-14, 14p

Introducing structure-based three-dimensional pharmacophore models for accelerating the discovery of selective BRD9 binders

Authors: Pierri, Martina, Gazzillo, Erica, Chini, Maria Giovanna, Ferraro, Maria Grazia, Piccolo, Marialuisa, Maione, Francesco, Irace, Carlo, Bifulco, Giuseppe, Bruno, Ines, Terracciano, Stefania, Lauro, Gianluigi

Source: In Bioorganic Chemistry January 2022 118

Structure-based screening for the discovery of 1,2,4-oxadiazoles as promising hits for the development of new anti-inflammatory agents interfering with eicosanoid biosynthesis pathways

Authors: Potenza, Marianna, Sciarretta, Martina, Chini, Maria Giovanna, Saviano, Anella, Maione, Francesco, D'Auria, Maria Valeria, De Marino, Simona, Giordano, Assunta, Hofstetter, Robert Klaus, Festa, Carmen, Werz, Oliver, Bifulco, Giuseppe

Source: In European Journal of Medicinal Chemistry 15 November 2021 224

New Constituents from Zanthoxylum rhoifolium.

Authors: Stasi, Mauro Di, Parisi, Valentina, Hernandez, Vanessa, Gazzillo, Erica, Chini, Maria Giovanna, Bifulco, Giuseppe, Braca, Alessandra, Donadio, Giuliana, De Tommasi, Nunziatina

Source: Planta Medica; Mar2025, Vol. 91 Issue 3, p119-126, 8p

Subject Terms: RESEARCH funding, MICROBIAL sensitivity tests, HYDROCARBONS, CAROTENOIDS, PHYTOCHEMICALS, PLANT extracts, BARK, ANTI-infective agents, MEDICINAL plants, MOLECULAR structure, GRAM-positive bacteria, GRAM-negative bacteria, PHARMACODYNAMICS

Diterpenoids from Zhumeria majdae roots as potential heat shock protein 90 (HSP90) modulators

Authors: Zadali, Reza, Nejad-Ebrahimi, Samad, Hadjiakhoondi, Abbas, Fiengo, Lorenzo, D'Ambola, Massimiliano, De Vita, Simona, Tofighi, Zahra, Chini, Maria Giovanna, Bifulco, Giuseppe, De Tommasi, Nunziatina

Source: In Phytochemistry May 2021 185

Addressing the Target Identification and Accelerating the Repositioning of Anti‐Inflammatory/Anti‐Cancer Organic Compounds by Computational Approaches

Authors: Chini, Maria Giovanna, Lauro, Gianluigi, Bifulco, Giuseppe

Source: European journal of organic chemistry. 2021(21):2966-2981

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100123657275.0x000001&indx=1&recIds=ETOCvdc_100123657275.0x000001

In Silico Design, Chemical Synthesis, Biophysical and in Vitro Evaluation for the Identification of 1‐Ethyl‐1H‐Pyrazolo[3,4‐b]Pyridine‐Based BRD9 Binders.

Authors: Colarusso, Ester¹, Gazzillo, Erica¹, Pierri, Martina¹, Ruggiero, Dafne¹, Chini, Maria Giovanna², Bruno, Ines¹, Bifulco, Giuseppe¹, Terracciano, Stefania¹, sterracciano@unisa.it, Lauro, Gianluigi¹, glauro@unisa.it

Source: ChemPlusChem; Dec2024, Vol. 89 Issue 12, p1-13, 13p

Pharmacological and molecular docking assessment of cryptotanshinone as natural-derived analgesic compound

Authors: De Caro, Carmen, Raucci, Federica, Saviano, Anella, Cristiano, Claudia, Casillo, Gian Marco, Di Lorenzo, Ritamaria, Sacchi, Antonia, Laneri, Sonia, Dini, Irene, De Vita, Simona, Chini, Maria Giovanna, Bifulco, Giuseppe ^*, Calignano, Antonio, Maione, Francesco ^*, Mascolo, Nicola

Source: In Biomedicine & Pharmacotherapy June 2020 126

Exploring the chemical space of functionalized [1, 2, 4]triazolo[4, 3-a]quinoxaline-based compounds targeting the bromodomain of BRD9

Authors: Gazzillo, Erica, Pierri, Martina, Colarusso, Ester, Chini, Maria Giovanna, Ferraro, Maria Grazia, Piccolo, Marialuisa, Irace, Carlo, Bruno, Ines, Bifulco, Giuseppe, Terracciano, Stefania, Lauro, Gianluigi

Source: Bioorganic chemistry. 139

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100195223692.0x000001&indx=1&recIds=ETOCvdc_100195223692.0x000001

Identification of 2, 4, 5-trisubstituted-2, 4-dihydro-3H-1, 2, 4-triazol-3-one-based small molecules as selective BRD9 binders

Authors: Colarusso, Ester, Ceccacci, Sara, Monti, Maria Chiara, Gazzillo, Erica, Giordano, Assunta, Chini, Maria Giovanna, Ferraro, Maria Grazia, Piccolo, Marialuisa, Ruggiero, Dafne, Irace, Carlo, Terracciano, Stefania, Bruno, Ines, Bifulco, Giuseppe, Lauro, Gianluigi

Source: European journal of medicinal chemistry. 247

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100180122493.0x000001&indx=1&recIds=ETOCvdc_100180122493.0x000001

Elucidating heteroatom influence on homonuclear 4J(H, H) coupling constants by DFT/NMR approach

Authors: Chini, Maria Giovanna, Urbani, Daniele, Dambruoso, Paolo, Riccio, Raffaele, Bifulco, Giuseppe

Source: Magnetic resonance in chemistry. 58(6):566-575

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100107601193.0x000001&indx=1&recIds=ETOCvdc_100107601193.0x000001

From Natural Compounds to Bioactive Molecules through NMR and In Silico Methodologies

Authors: De Vita, Simona, Terracciano, Stefania, Bruno, Ines, Chini, Maria Giovanna

Source: European journal of organic chemistry. 2020(40):6297-6317

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100109312698.0x000001&indx=1&recIds=ETOCvdc_100109312698.0x000001

Accelerating the repurposing of FDA-approved drugs against coronavirus disease-19 (COVID-19)Electronic supplementary information (ESI) available: Document containing SMILES structure of the selected compounds and their docking score against the considered panel. See DOI: 10.1039/d0ra09010g

Authors: De Vita, Simona, Chini, Maria Giovanna, Lauro, Gianluigi, Bifulco, Giuseppe

Source: RSC advances. 10(67):40867-40875

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100110532303.0x000001&indx=1&recIds=ETOCvdc_100110532303.0x000001

Repositioning of Small Molecules through the Inverse Virtual Screening in silico Tool: Case of Benzothiazole‐Based Inhibitors of Soluble Epoxide Hydrolase (sEH).

Authors: Gazzillo, Erica^1,2, Colarusso, Ester¹, Giordano, Assunta^1,3, Chini, Maria Giovanna⁴, mariagiovanna.chini@unimol.it, Potenza, Marianna¹, Hofstetter, Robert Klaus⁵, Iorizzi, Maria⁴, Werz, Oliver⁵, Lauro, Gianluigi¹, glauro@unisa.it, Bifulco, Giuseppe¹, bifulco@unisa.it

Source: ChemPlusChem; Sep2024, Vol. 89 Issue 9, p1-10, 10p