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Article ; Online: An insight into the last 5-year patents on

Bernardoni, Bianca Laura / D'Agostino, Ilaria / La Motta, Concettina / Angeli, Andrea

2024

Abstract: Introduction: The oral cavity harbors an extensive array of over 700 microorganisms, forming the most complex biome of the entire human body, with bacterial species being the most abundant. Oral diseases, e.g. periodontitis and caries, are strictly ... ...

Abstract	Introduction: The oral cavity harbors an extensive array of over 700 microorganisms, forming the most complex biome of the entire human body, with bacterial species being the most abundant. Oral diseases, e.g. periodontitis and caries, are strictly associated with bacterial dysbiosis. Areas covered: After a brief overview of the bacterial populations in the oral cavity and their roles in regulating (flora) oral cavity or causing diseases like periodontal and cariogenic pathogens, we focused our attention on P. gingivalis and S. mutans, searching for the last-5-year patents dealing with the proposal of new strategies to fight their infections. Following the PRISMA protocol, we filtered the results and analyzed over 100 applied/granted patents, to provide an in-depth insight into this R&D scenario. Expert opinion: Several antibacterial proposals have been patented in this period, from both chemical - peptides and small molecules - and biological - probiotics and antibodies - sources, along with natural extracts, polymers, and drug delivery systems. Most of the inventors are from China and Korea and their studies also investigated anti-inflammatory and antioxidant effects, being beneficial to oral health through a prophylactic, protective, or curative effect.
Language	English
Publishing date	2024-04-29
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	1186201-4
ISSN	1744-7674 ; 0962-2594 ; 1354-3776
ISSN (online)	1744-7674
ISSN	0962-2594 ; 1354-3776
DOI	10.1080/13543776.2024.2349739
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Article ; Online: Nature as a source and inspiration for human monoamine oxidase B (hMAO-B) inhibition: A review of the recent advances in chemical modification of natural compounds.

Melfi, Francesco / Carradori, Simone / Angeli, Andrea / D'Agostino, Ilaria

Expert opinion on drug discovery

2023 Volume 18, Issue 8, Page(s) 851–879

Abstract: Introduction: Over the past 5 years, we have witnessed intense research activity about the biological potential of natural products (NPs) as human monoamine oxidase B (hMAO-B) inhibitors. Despite the promising inhibitory activity, natural compounds ... ...

Abstract	Introduction: Over the past 5 years, we have witnessed intense research activity about the biological potential of natural products (NPs) as human monoamine oxidase B (hMAO-B) inhibitors. Despite the promising inhibitory activity, natural compounds often suffer from pharmacokinetic lissues, such as poor aqueous solubility, extensive metabolism, and low bioavailability. Areas covered: This review provides an overview of the current landscape NPs as selective hMAO-B inhibitors and highlights their use as a starting scaffold to design (semi)synthetic derivatives to overcome the therapeutic (pharmacodynamic and pharmacokinetic) limitations of NPs and to obtain more robust structure-activity relationships (SARs) for each scaffold. Expert opinion: All the natural scaffolds herein presented displayed a broad chemical diversity. The knowledge of their biological activity as inhibitors of hMAO-B enzyme allows the positive correlations associated with the consumption of specific food or the possible herb-drug interactions and suggests to the Medicinal Chemists how to address chemical functionalization to obtain more potent and selective compounds.
MeSH term(s)	Humans ; Monoamine Oxidase/chemistry ; Monoamine Oxidase/metabolism ; Monoamine Oxidase Inhibitors/pharmacology ; Monoamine Oxidase Inhibitors/chemistry ; Structure-Activity Relationship ; Biological Availability ; Molecular Structure
Chemical Substances	Monoamine Oxidase (EC 1.4.3.4) ; Monoamine Oxidase Inhibitors
Language	English
Publishing date	2023-06-23
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	2259618-5
ISSN	1746-045X ; 1746-0441
ISSN (online)	1746-045X
ISSN	1746-0441
DOI	10.1080/17460441.2023.2226860
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Article ; Online: An update on antibacterial AlkylGuanidino Ureas: Design of new derivatives, synergism with colistin and data analysis of the whole library.

Ardino, Claudia / Sannio, Filomena / Poli, Giulio / Galati, Salvatore / Dreassi, Elena / Botta, Lorenzo / Docquier, Jean-Denis / D'Agostino, Ilaria

European journal of medicinal chemistry

2024 Volume 270, Page(s) 116362

Abstract: Antimicrobial resistance (AMR) represents one of the most challenging global Public Health issues, with an alarmingly increasing rate of attributable mortality. This scenario highlights the urgent need for innovative medicinal strategies showing activity ...

Abstract	Antimicrobial resistance (AMR) represents one of the most challenging global Public Health issues, with an alarmingly increasing rate of attributable mortality. This scenario highlights the urgent need for innovative medicinal strategies showing activity on resistant isolates (especially, carbapenem-resistant Gram-negative bacteria, methicillin-resistant S. aureus, and vancomycin-resistant enterococci) yielding new approaches for the treatment of bacterial infections. We previously reported AlkylGuanidino Ureas (AGUs) with broad-spectrum antibacterial activity and a putative membrane-based mechanism of action. Herein, new tetra- and mono-guanidino derivatives were designed and synthesized to expand the structure-activity relationships (SARs) and, thereby, tested on the same panel of Gram-positive and Gram-negative bacteria. The membrane-active mechanism of selected compounds was then investigated through molecular dynamics (MD) on simulated bacterial membranes. In the end, the newly synthesized series, along with the whole library of compounds (more than 70) developed in the last decade, was tested in combination with subinhibitory concentrations of the last resort antibiotic colistin to assess putative synergistic or additive effects. Moreover, all the AGUs were subjected to cheminformatic and machine learning analyses to gain a deeper knowledge of the key features required for bioactivity.
MeSH term(s)	Anti-Bacterial Agents/pharmacology ; Colistin/pharmacology ; Methicillin-Resistant Staphylococcus aureus ; Gram-Negative Bacteria ; Gram-Positive Bacteria ; Bacteria ; Data Analysis ; Microbial Sensitivity Tests
Chemical Substances	Anti-Bacterial Agents ; Colistin (Z67X93HJG1)
Language	English
Publishing date	2024-03-28
Publishing country	France
Document type	Journal Article
ZDB-ID	188597-2
ISSN	1768-3254 ; 0009-4374 ; 0223-5234
ISSN (online)	1768-3254
ISSN	0009-4374 ; 0223-5234
DOI	10.1016/j.ejmech.2024.116362
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Article ; Online: An updated patent review on monoamine oxidase (MAO) inhibitors.

Guglielmi, Paolo / Carradori, Simone / D'Agostino, Ilaria / Campestre, Cristina / Petzer, Jacobus P

Expert opinion on therapeutic patents

2022 Volume 32, Issue 8, Page(s) 849–883

Abstract: Introduction: Monoamine oxidase (MAO) inhibitors are currently used as antidepressants (selective MAO-A inhibitors) or as co-adjuvants for neurodegenerative diseases (selective MAO-B inhibitors). The research within this field is attracting attention ... ...

Abstract	Introduction: Monoamine oxidase (MAO) inhibitors are currently used as antidepressants (selective MAO-A inhibitors) or as co-adjuvants for neurodegenerative diseases (selective MAO-B inhibitors). The research within this field is attracting attention due to their crucial role in the modulation of brain functions, mood, and cognitive activity, and monoamine catabolism. Areas covered: MAO inhibitors (2018-2021) are discussed according to their chemotypes. Structure-activity relationships are derived for each chemical scaffold (propargylamines, chalcones, indoles, benzimidazoles, (iso)coumarins, (iso)benzofurans, xanthones, and tetralones), while the chemical entities were divided into newly synthesized molecules and natural metabolites. The mechanism of action and type of inhibition are also considered. Lastly, new therapeutic applications are reported, which demonstrates the clinical potential of these inhibitors as well as the possibility of repurposing existing drugs for a variety of diseases. Expert opinion: MAO inhibitors here reported exhibit different potencies and isoform selectivity. These compounds are clinically licensed for multi-faceted neurodegenerative pathologies due to their ability to also act against other relevant targets (cholinesterases, inflammation, and oxidative stress). Moreover, the drug repurposing approach is an attractive strategy by which MAO inhibitors may be applied for the treatment of prostate cancer, inflammation, vertigo, and type 1 diabetes.
MeSH term(s)	Antidepressive Agents/pharmacology ; Humans ; Inflammation/drug therapy ; Monoamine Oxidase/metabolism ; Monoamine Oxidase Inhibitors/chemistry ; Monoamine Oxidase Inhibitors/pharmacology ; Patents as Topic ; Structure-Activity Relationship
Chemical Substances	Antidepressive Agents ; Monoamine Oxidase Inhibitors ; Monoamine Oxidase (EC 1.4.3.4)
Language	English
Publishing date	2022-06-09
Publishing country	England
Document type	Journal Article
ZDB-ID	1186201-4
ISSN	1744-7674 ; 0962-2594 ; 1354-3776
ISSN (online)	1744-7674
ISSN	0962-2594 ; 1354-3776
DOI	10.1080/13543776.2022.2083501
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Article: Nature-Inspired Compounds: Synthesis and Antibacterial Susceptibility Testing of Eugenol Derivatives against

Carradori, Simone / Ammazzalorso, Alessandra / Niccolai, Sofia / Tanini, Damiano / D'Agostino, Ilaria / Melfi, Francesco / Capperucci, Antonella / Grande, Rossella / Sisto, Francesca

Pharmaceuticals (Basel, Switzerland)

2023 Volume 16, Issue 9

Abstract: The antimicrobial properties of one of the most important secondary metabolites, Eugenol ( ...

Abstract	The antimicrobial properties of one of the most important secondary metabolites, Eugenol (
Language	English
Publishing date	2023-09-18
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2193542-7
ISSN	1424-8247
ISSN	1424-8247
DOI	10.3390/ph16091317
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Article ; Online: Emerging compounds and therapeutic strategies to treat infections from

Melfi, Francesco / Carradori, Simone / Campestre, Cristina / Haloci, Entela / Ammazzalorso, Alessandra / Grande, Rossella / D'Agostino, Ilaria

Expert opinion on therapeutic patents

2023 Volume 33, Issue 3, Page(s) 247–263

Abstract: Introduction: Human African Trypanosomiasis is a neglected disease caused by infection from parasites belonging to the : Areas covered: After a brief description of the recent literature on the parasite and the disease, we searched for patents ... ...

Abstract	Introduction: Human African Trypanosomiasis is a neglected disease caused by infection from parasites belonging to the Areas covered: After a brief description of the recent literature on the parasite and the disease, we searched for patents dealing with the proposal of new antitrypanosomiasis agents and, following the PRISMA guidelines, we filtered the results to those published from 2018 onwards returning suitable entries, which represent the contemporary landscape of compounds/strategies against Expert opinion: This review comprehensively covers and analyzes the most recent advances not only in the discovery of new inhibitors and their structure-activity relationships but also in the assessment of innovative biological targets opening new scenarios in the MedChem field. Finally, also new vaccines and formulations recently patented were described. However, natural and synthetic compounds were analyzed in terms of inhibitory activity and selective toxicity against human cells.
MeSH term(s)	Animals ; Humans ; Trypanosoma brucei brucei ; Trypanocidal Agents/pharmacology ; Trypanocidal Agents/therapeutic use ; Patents as Topic ; Trypanosomiasis, African/drug therapy ; Trypanosomiasis, African/parasitology ; Eflornithine/pharmacology ; Eflornithine/therapeutic use
Chemical Substances	Trypanocidal Agents ; Eflornithine (ZQN1G5V6SR)
Language	English
Publishing date	2023-03-27
Publishing country	England
Document type	Journal Article ; Review
ZDB-ID	1186201-4
ISSN	1744-7674 ; 0962-2594 ; 1354-3776
ISSN (online)	1744-7674
ISSN	0962-2594 ; 1354-3776
DOI	10.1080/13543776.2023.2193328
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Article ; Online: Synthetic Heterocyclic Derivatives as Kinase Inhibitors Tested for the Treatment of Neuroblastoma.

Musumeci, Francesca / Cianciusi, Annarita / D'Agostino, Ilaria / Grossi, Giancarlo / Carbone, Anna / Schenone, Silvia

Molecules (Basel, Switzerland)

2021 Volume 26, Issue 23

Abstract: In the last few years, small molecules endowed with different heterocyclic scaffolds have been developed as kinase inhibitors. Some of them are being tested at preclinical or clinical levels for the potential treatment of neuroblastoma (NB). This disease ...

Abstract	In the last few years, small molecules endowed with different heterocyclic scaffolds have been developed as kinase inhibitors. Some of them are being tested at preclinical or clinical levels for the potential treatment of neuroblastoma (NB). This disease is the most common extracranial solid tumor in childhood and is responsible for 10% to 15% of pediatric cancer deaths. Despite the availability of some treatments, including the use of very toxic cytotoxic chemotherapeutic agents, high-risk (HR)-NB patients still have a poor prognosis and a survival rate below 50%. For these reasons, new pharmacological options are urgently needed. This review focuses on synthetic heterocyclic compounds published in the last five years, which showed at least some activity on this severe disease and act as kinase inhibitors. The specific mechanism of action, selectivity, and biological activity of these drug candidates are described, when established. Moreover, the most remarkable clinical trials are reported. Importantly, kinase inhibitors approved for other diseases have shown to be active and endowed with lower toxicity compared to conventional cytotoxic agents. The data collected in this article can be particularly useful for the researchers working in this area.
MeSH term(s)	Animals ; Apoptosis/drug effects ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Cell Survival/drug effects ; Child ; Clinical Trials as Topic ; Humans ; Mice ; Neuroblastoma/drug therapy ; Neuroblastoma/metabolism ; Protein Kinase Inhibitors/therapeutic use ; Protein Kinases/chemistry ; Protein Kinases/metabolism ; Signal Transduction/drug effects ; Treatment Outcome ; Xenograft Model Antitumor Assays
Chemical Substances	Protein Kinase Inhibitors ; Protein Kinases (EC 2.7.-)
Language	English
Publishing date	2021-11-23
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules26237069
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Article ; Online: The impact of counterions in biological activity: case study of antibacterial alkylguanidino ureas.

Ardino, Claudia / Sannio, Filomena / Pasero, Carolina / Botta, Lorenzo / Dreassi, Elena / Docquier, Jean-Denis / D'Agostino, Ilaria

Molecular diversity

2022 Volume 27, Issue 3, Page(s) 1489–1499

Abstract: Trifluoroacetic acid (TFA), due to its strong acidity and low boiling point, is extensively used in protecting groups-based synthetic strategies. Indeed, synthetic compounds bearing basic functions, such as amines or guanidines (commonly found in peptido ...

Abstract	Trifluoroacetic acid (TFA), due to its strong acidity and low boiling point, is extensively used in protecting groups-based synthetic strategies. Indeed, synthetic compounds bearing basic functions, such as amines or guanidines (commonly found in peptido or peptidomimetic derivatives), developed in the frame of drug discovery programmes, are often isolated as trifluoroacetate (TF-Acetate) salts and their biological activity is assessed as such in in vitro, ex vivo, or in vivo experiments. However, the presence of residual amounts of TFA was reported to potentially affect the accuracy and reproducibility of a broad range of cellular assays (e. g. antimicrobial susceptibility testing, and cytotoxicity assays) limiting the further development of these derivatives. Furthermore, the impact of the counterion on biological activity, including TF-Acetate, is still controversial. Herein, we present a focused case study aiming to evaluate the activity of an antibacterial AlkylGuanidino Urea (AGU) compound obtained as TF-Acetate (1a) and hydrochloride (1b) salt forms to highlight the role of counterions in affecting the biological activity. We also prepared and tested the corresponding free base (1c). The exchange of the counterions applied to polyguanidino compounds represents an unexplored and challenging field, which required significant efforts for the successful optimization of reliable methods of preparation, also reported in this work. In the end, the biological evaluation revealed a quite similar biological profile for the salt derivatives 1a and 1b and a lower potency was found for the free base 1c.
MeSH term(s)	Reproducibility of Results ; Amines ; Anti-Bacterial Agents/pharmacology
Chemical Substances	Amines ; Anti-Bacterial Agents
Language	English
Publishing date	2022-08-29
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1376507-3
ISSN	1573-501X ; 1381-1991
ISSN (online)	1573-501X
ISSN	1381-1991
DOI	10.1007/s11030-022-10505-6
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Article ; Online: Negative Modulation of the Angiogenic Cascade Induced by Allosteric Kinesin Eg5 Inhibitors in a Gastric Adenocarcinoma In Vitro Model.

Ricci, Alessia / Gallorini, Marialucia / Del Bufalo, Donatella / Cataldi, Amelia / D'Agostino, Ilaria / Carradori, Simone / Zara, Susi

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 3

Abstract: Eg5 is a kinesin essential in bipolar spindle formation, overexpressed in tumours, thus representing a new target in cancer therapy. We aimed at evaluating the anti-cancer activity of Eg5 thiadiazoline ... ...

Abstract	Eg5 is a kinesin essential in bipolar spindle formation, overexpressed in tumours, thus representing a new target in cancer therapy. We aimed at evaluating the anti-cancer activity of Eg5 thiadiazoline inhibitors
MeSH term(s)	Adenocarcinoma/drug therapy ; Adenocarcinoma/pathology ; Allosteric Regulation ; Antineoplastic Agents/pharmacology ; Cell Cycle ; Cell Proliferation ; Humans ; In Vitro Techniques ; Kinesins/antagonists & inhibitors ; Neovascularization, Pathologic/drug therapy ; Neovascularization, Pathologic/pathology ; Stomach Neoplasms/drug therapy ; Stomach Neoplasms/pathology ; Tumor Cells, Cultured
Chemical Substances	Antineoplastic Agents ; KIF11 protein, human ; Kinesins (EC 3.6.4.4)
Language	English
Publishing date	2022-01-31
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27030957
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Article ; Online: Early investigation of a novel SI306 theranostic prodrug for glioblastoma treatment.

Vagaggini, Chiara / Petroni, Debora / D'Agostino, Ilaria / Poggialini, Federica / Cavallini, Chiara / Cianciusi, Annarita / Salis, Annalisa / D'Antona, Lucia / Francesconi, Valeria / Manetti, Fabrizio / Damonte, Gianluca / Musumeci, Francesca / Menichetti, Luca / Dreassi, Elena / Carbone, Anna / Schenone, Silvia

Drug development research

2024 Volume 85, Issue 1, Page(s) e22158

Abstract: Glioblastoma multiforme (GBM) is one of the most aggressive malignancies with a high recurrence rate and poor prognosis. Theranostic, combining therapeutic and diagnostic approaches, arises as a successful strategy to improve patient outcomes through ... ...

Abstract	Glioblastoma multiforme (GBM) is one of the most aggressive malignancies with a high recurrence rate and poor prognosis. Theranostic, combining therapeutic and diagnostic approaches, arises as a successful strategy to improve patient outcomes through personalized medicine. Src is a non-receptor tyrosine kinase (nRTK) whose involvement in GBM has been extensively demonstrated. Our previous research highlighted the effectiveness of the pyrazolo[3,4-d]pyrimidine SI306 and its more soluble prodrug CMP1 as Src inhibitors both in in vitro and in vivo GBM models. In this scenario, we decided to develop a theranostic prodrug of SI306, ProSI-DOTA(
MeSH term(s)	Humans ; Precision Medicine ; Glioblastoma/diagnostic imaging ; Glioblastoma/drug therapy ; Blood-Brain Barrier ; Cell Line ; Prodrugs/pharmacology
Chemical Substances	Prodrugs
Language	English
Publishing date	2024-02-13
Publishing country	United States
Document type	Journal Article
ZDB-ID	604587-x
ISSN	1098-2299 ; 0272-4391
ISSN (online)	1098-2299
ISSN	0272-4391
DOI	10.1002/ddr.22158
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