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Article ; Online: Transition metal(II) complexes with the non-steroidal anti-inflammatory drug oxaprozin: Characterization and biological profile.

Lazou, Marialena / Hatzidimitriou, Antonios G / Papadopoulos, Athanasios N / Psomas, George

2023 Volume 243, Page(s) 112196

Abstract: A series of copper(II), nickel(II) and cobalt(II) complexes with the non-steroidal anti-inflammatory drug oxaprozin (Hoxa) have been synthesized and characterized by diverse techniques. The crystal structures of two copper(II) complexes, namely the ... ...

Abstract	A series of copper(II), nickel(II) and cobalt(II) complexes with the non-steroidal anti-inflammatory drug oxaprozin (Hoxa) have been synthesized and characterized by diverse techniques. The crystal structures of two copper(II) complexes, namely the dinuclear complex [Cu
MeSH term(s)	Humans ; Oxaprozin ; Copper/chemistry ; Coordination Complexes/chemistry ; Anti-Inflammatory Agents, Non-Steroidal/chemistry ; Serum Albumin, Bovine/chemistry ; DNA/chemistry ; Crystallography, X-Ray
Chemical Substances	Oxaprozin (MHJ80W9LRB) ; Copper (789U1901C5) ; Coordination Complexes ; Anti-Inflammatory Agents, Non-Steroidal ; Serum Albumin, Bovine (27432CM55Q) ; DNA (9007-49-2)
Language	English
Publishing date	2023-03-17
Publishing country	United States
Document type	Journal Article
ZDB-ID	162843-4
ISSN	1873-3344 ; 0162-0134
ISSN (online)	1873-3344
ISSN	0162-0134
DOI	10.1016/j.jinorgbio.2023.112196
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Article ; Online: Multiple similarity drug-target interaction prediction with random walks and matrix factorization.

Liu, Bin / Papadopoulos, Dimitrios / Malliaros, Fragkiskos D / Tsoumakas, Grigorios / Papadopoulos, Apostolos N

Briefings in bioinformatics

2022 Volume 23, Issue 5

Abstract: The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage heterogeneous ... ...

Abstract	The discovery of drug-target interactions (DTIs) is a very promising area of research with great potential. The accurate identification of reliable interactions among drugs and proteins via computational methods, which typically leverage heterogeneous information retrieved from diverse data sources, can boost the development of effective pharmaceuticals. Although random walk and matrix factorization techniques are widely used in DTI prediction, they have several limitations. Random walk-based embedding generation is usually conducted in an unsupervised manner, while the linear similarity combination in matrix factorization distorts individual insights offered by different views. To tackle these issues, we take a multi-layered network approach to handle diverse drug and target similarities, and propose a novel optimization framework, called Multiple similarity DeepWalk-based Matrix Factorization (MDMF), for DTI prediction. The framework unifies embedding generation and interaction prediction, learning vector representations of drugs and targets that not only retain higher order proximity across all hyper-layers and layer-specific local invariance, but also approximate the interactions with their inner product. Furthermore, we develop an ensemble method (MDMF2A) that integrates two instantiations of the MDMF model, optimizing the area under the precision-recall curve (AUPR) and the area under the receiver operating characteristic curve (AUC), respectively. The empirical study on real-world DTI datasets shows that our method achieves statistically significant improvement over current state-of-the-art approaches in four different settings. Moreover, the validation of highly ranked non-interacting pairs also demonstrates the potential of MDMF2A to discover novel DTIs.
MeSH term(s)	Algorithms ; Drug Development ; Drug Discovery/methods ; Drug Interactions ; Pharmaceutical Preparations ; Proteins
Chemical Substances	Pharmaceutical Preparations ; Proteins
Language	English
Publishing date	2022-08-24
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2068142-2
ISSN	1477-4054 ; 1467-5463
ISSN (online)	1477-4054
ISSN	1467-5463
DOI	10.1093/bib/bbac353
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Article: Exercise as a Promising Agent against Cancer: Evaluating Its Anti-Cancer Molecular Mechanisms.

Spanoudaki, Maria / Giaginis, Constantinos / Karafyllaki, Dimitra / Papadopoulos, Konstantinos / Solovos, Evangelos / Antasouras, Georgios / Sfikas, Georgios / Papadopoulos, Athanasios N / Papadopoulou, Sousana K

Cancers

2023 Volume 15, Issue 21

Abstract: Background: Cancer cases are continuously increasing, while the prevalence rates of physical inactivity are also continuously increasing. Physical inactivity is a causative factor in non-communicable diseases, including cancer. However, the potential ... ...

Abstract	Background: Cancer cases are continuously increasing, while the prevalence rates of physical inactivity are also continuously increasing. Physical inactivity is a causative factor in non-communicable diseases, including cancer. However, the potential beneficial effects of exercise on cancer treatment have not received much attention so far. The aim of this study was to highlight the relationship between cancer and exercise on a molecular basis. Methods: Comprehensive and in-depth research was conducted in the most accurate scientific databases by using relevant and effective keywords. Results: The mechanisms by which exercise may reduce cancer risk and/or progression may include the metabolic profile of hormones, systemic inflammation reduction, insulin sensitivity increase, antioxidant capacity augmentation, the boost to the immune system, and the direct effect on the tumor. There is currently substantial evidence that the effect of exercise may predict a stronger association with cancer and could supplementarily be embedded in cancer clinical practice to improve disease progression and prognosis. Conclusion: The field of this study requires interconnecting the overall knowledge of exercise physiology with cancer biology and cancer clinical oncology to provide the basis for personalized targeting strategies that can be merged with training as a component of a holistic co-treatment approach to optimize cancer healthcare.
Language	English
Publishing date	2023-10-25
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2527080-1
ISSN	2072-6694
ISSN	2072-6694
DOI	10.3390/cancers15215135
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Article ; Conference proceedings: Dupilumab long term efficacy in children with moderate-to-severe type 2 asthma with/without evidence of allergic asthma

Phipatanakul, W. / Prenzel, F. / Papadopoulos, N. G. / Bacharier, L. B. / Hamelmann, E. / Fiocchi, A. G. / Altincatal, A. / Gall, R. / Ledanois, O.

Klinische Pädiatrie

2024 Volume 236, Issue 02

Event/congress	45. Jahrestagung der Gesellschaft für Pädiatrische Pneumologie, Bochum, 2024-03-14
Language	German
Publishing date	2024-02-01
Publisher	Georg Thieme Verlag
Publishing place	Stuttgart ; New York
Document type	Article ; Conference proceedings
ZDB-ID	120650-3
ISSN	1439-3824 ; 0300-8630
ISSN (online)	1439-3824
ISSN	0300-8630
DOI	10.1055/s-0044-1779351
Database	Thieme publisher's database

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Article ; Online: An international Delphi study on the burden of allergic rhinoconjunctivitis and urticaria and the role of bilastine among current treatment options.

Church, M K / Canonica, G W / Kuna, P / Maurer, M / Mösges, R / Novak, Z / Papadopoulos, N G / Rodriguez Del Rio, P

Expert review of clinical immunology

2023 Volume 19, Issue 7, Page(s) 813–820

Abstract: Background: Allergic rhinoconjunctivitis and chronic urticaria are common histamine-driven diseases, exerting detrimental effects on cognitive functions, sleep, daily activities, and quality of life. Non-sedating second-generation H: Methods: An ... ...

Abstract	Background: Allergic rhinoconjunctivitis and chronic urticaria are common histamine-driven diseases, exerting detrimental effects on cognitive functions, sleep, daily activities, and quality of life. Non-sedating second-generation H Methods: An international Delphi study was carried out to assess consensus among experts from 17 European and extra-European countries on three main topics: 1) Burden of disease; 2) Current treatment options; 3) Specific characteristics of bilastine among second-generation antihistamines. Results: Here, we present the results obtained for a selection of 15 out of 27 consensus statements, focused on disease burden, role of second-generation antihistamines and bilastine profile. The rate of concordance was ≥98% for 4 statements, ≥ 96% for 6, ≥ 94% for 3, and ≥90% for 2. Conclusions: The high degree of agreement obtained suggests a wide awareness of the burden of allergic rhinoconjunctivitis and chronic urticaria among experts from all over the world and reflects a broad consensus on the role of second-generation antihistamines in general and of bilastine in particular for their management.
MeSH term(s)	Humans ; Quality of Life ; Delphi Technique ; Urticaria ; Histamine H1 Antagonists, Non-Sedating/therapeutic use ; Histamine Antagonists/therapeutic use ; Chronic Urticaria
Chemical Substances	bilastine (PA1123N395) ; Histamine H1 Antagonists, Non-Sedating ; Histamine Antagonists
Language	English
Publishing date	2023-05-24
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2274260-8
ISSN	1744-8409 ; 1744-666X
ISSN (online)	1744-8409
ISSN	1744-666X
DOI	10.1080/1744666X.2023.2214729
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Article: Optimization of Brewer's Yeast Quantity in Liquid and Gel Larval Diets for the Mediterranean Fruit Fly.

Prekas, Paraschos N / Rodovitis, Vasilis G / Bataka, Evmorfia P / Nestel, David / Nakas, Christos T / Papadopoulos, Nikos T

Insects

2023 Volume 14, Issue 10

Abstract: Several artificial larval diets have been developed, evaluated and used for mass-rearing of the Mediterranean fruit fly (medfly), ...

Abstract	Several artificial larval diets have been developed, evaluated and used for mass-rearing of the Mediterranean fruit fly (medfly),
Language	English
Publishing date	2023-10-21
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2662247-6
ISSN	2075-4450
ISSN	2075-4450
DOI	10.3390/insects14100828
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Article ; Online: Iron(III) Complexes with Non-Steroidal Anti-Inflammatory Drugs: Structure, Antioxidant and Anticholinergic Activity, and Interaction with Biomolecules.

Dimiza, Filitsa / Barmpa, Amalia / Chronakis, Antonios / Hatzidimitriou, Antonios G / Sanakis, Yiannis / Papadopoulos, Athanasios N / Psomas, George

International journal of molecular sciences

2023 Volume 24, Issue 7

Abstract: One the main research goals of bioinorganic chemists is the synthesis of novel coordination compounds possessing biological potency. Within this context, three novel iron(III) complexes with the non-steroidal anti-inflammatory drugs diflunisal and ... ...

Abstract	One the main research goals of bioinorganic chemists is the synthesis of novel coordination compounds possessing biological potency. Within this context, three novel iron(III) complexes with the non-steroidal anti-inflammatory drugs diflunisal and diclofenac in the presence or absence of the nitrogen donors 1,10-phenanthroline or pyridine were isolated and characterized by diverse techniques. The complexes were evaluated for their ability to scavenge in vitro free radicals such as hydroxyl, 1,1-diphenyl-2-picrylhydrazyl and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radicals, revealing their selective potency towards hydroxyl radicals. The in vitro inhibitory activity of the complexes towards the enzymes acetylcholinesterase and butyrylcholinesterase was evaluated, and their potential to achieve neuroprotection appeared promising. The interaction of the complexes with calf-thymus DNA was examined in vitro, revealing their ability to intercalate in-between DNA nucleobases. The affinity of the complexes for serum albumins was evaluated in vitro and revealed their tight and reversible binding.
MeSH term(s)	Antioxidants/pharmacology ; Antioxidants/chemistry ; Ferric Compounds ; Cholinergic Antagonists ; Butyrylcholinesterase ; Acetylcholinesterase ; Coordination Complexes/chemistry ; Anti-Inflammatory Agents, Non-Steroidal/chemistry ; DNA/chemistry
Chemical Substances	Antioxidants ; Ferric Compounds ; Cholinergic Antagonists ; Butyrylcholinesterase (EC 3.1.1.8) ; Acetylcholinesterase (EC 3.1.1.7) ; Coordination Complexes ; Anti-Inflammatory Agents, Non-Steroidal ; DNA (9007-49-2)
Language	English
Publishing date	2023-03-28
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms24076391
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Article ; Online: Expanding the Reticular Chemistry Building Block Library toward Highly Connected Nets: Ultraporous MOFs Based on 18-Connected Ternary, Trigonal Prismatic Superpolyhedra.

Froudas, Konstantinos G / Vassaki, Maria / Papadopoulos, Konstantinos / Tsangarakis, Constantinos / Chen, Xu / Shepard, William / Fairen-Jimenez, David / Tampaxis, Christos / Charalambopoulou, Georgia / Steriotis, Theodore A / Trikalitis, Pantelis N

Journal of the American Chemical Society

2024 Volume 146, Issue 13, Page(s) 8961–8970

Abstract: The chemistry of metal-organic frameworks (MOFs) continues to expand rapidly, providing materials with diverse structures and properties. The reticular chemistry approach, where well-defined structural building blocks are combined together to form ... ...

Abstract	The chemistry of metal-organic frameworks (MOFs) continues to expand rapidly, providing materials with diverse structures and properties. The reticular chemistry approach, where well-defined structural building blocks are combined together to form crystalline open framework solids, has greatly accelerated the discovery of new and important materials. However, its full potential toward the rational design of MOFs relies on the availability of highly connected building blocks because these greatly reduce the number of possible structures. Toward this, building blocks with connectivity greater than 12 are highly desirable but extremely rare. We report here the discovery of novel 18-connected, trigonal prismatic, ternary building blocks (
Language	English
Publishing date	2024-03-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	3155-0
ISSN	1520-5126 ; 0002-7863
ISSN (online)	1520-5126
ISSN	0002-7863
DOI	10.1021/jacs.3c12679
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Article: The Emerging Role of the Gut Microbiome in Cardiovascular Disease: Current Knowledge and Perspectives.

Papadopoulos, Panagiotis D / Tsigalou, Christina / Valsamaki, Pipitsa N / Konstantinidis, Theocharis G / Voidarou, Chrysoula / Bezirtzoglou, Eugenia

Biomedicines

2022 Volume 10, Issue 5

Abstract: The collection of normally non-pathogenic microorganisms that mainly inhabit our gut lumen shapes our health in many ways. Structural and functional perturbations in the gut microbial pool, known as "dysbiosis", have been proven to play a vital role in ... ...

Abstract	The collection of normally non-pathogenic microorganisms that mainly inhabit our gut lumen shapes our health in many ways. Structural and functional perturbations in the gut microbial pool, known as "dysbiosis", have been proven to play a vital role in the pathophysiology of several diseases, including cardiovascular disease (CVD). Although therapeutic regimes are available to treat this group of diseases, they have long been the main cause of mortality and morbidity worldwide. While age, sex, genetics, diet, tobacco use, and alcohol consumption are major contributors (World Health Organization, 2018), they cannot explain all of the consequences of CVD. In addition to the abovementioned traditional risk factors, the constant search for novel preventative and curative tools has shed light on the involvement of gut bacteria and their metabolites in the pathogenesis of CVD. In this narrative review, we will discuss the established interconnections between the gut microbiota and CVD, as well as the plausible therapeutic perspectives.
Language	English
Publishing date	2022-04-20
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2720867-9
ISSN	2227-9059
ISSN	2227-9059
DOI	10.3390/biomedicines10050948
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Article ; Online: Modulation of human thrombopoietin receptor conformations uncouples JAK2 V617F-driven activation from cytokine-induced stimulation.

Papadopoulos, Nicolas / Pristavec, Ajda / Nédélec, Audrey / Levy, Gabriel / Staerk, Judith / Constantinescu, Stefan N

Blood

2023 Volume 142, Issue 21, Page(s) 1818–1830

Abstract: The thrombopoietin receptor (TpoR) plays a central role in myeloproliferative neoplasms (MPNs). Mutations in JAK2, calreticulin, or TpoR itself drive the constitutive activation of TpoR and uncontrolled proliferation and differentiation of hematopoietic ... ...

Abstract	The thrombopoietin receptor (TpoR) plays a central role in myeloproliferative neoplasms (MPNs). Mutations in JAK2, calreticulin, or TpoR itself drive the constitutive activation of TpoR and uncontrolled proliferation and differentiation of hematopoietic stem cells and progenitors. The JAK2 V617F mutation is responsible for most MPNs, and all driver mutants induce pathologic TpoR activation. Existing therapeutic strategies have focused on JAK2 kinase inhibitors that are unable to differentiate between the mutated MPN clone and healthy cells. Surprisingly, the targeting of TpoR itself has remained poorly explored despite its central role in pathology. Here, we performed a comprehensive characterization of human TpoR activation under physiological and pathological conditions, focusing on the JAK2 V617F mutant. Using a system of controlled dimerization of the transmembrane and cytosolic domains of TpoR, we discovered that human TpoR (hTpoR) adopts different dimeric conformations upon Tpo-induced vs JAK2 V617F-mediated activation. We identified the amino acids and specific dimeric conformation of hTpoR responsible for activation in complex with JAK2 V617F and confirmed our findings in the full-length receptor context in hematopoietic cell lines and primary bone marrow cells. Remarkably, we found that the modulation of hTpoR conformations by point mutations allowed for specific inhibition of JAK2 V617F-driven activation without affecting Tpo-induced signaling. Our results demonstrate that modulation of the hTpoR conformation is a viable therapeutic strategy for JAK2 V617F-positive MPNs and set the path for novel drug development by identifying precise residues of hTpoR involved in JAK2 V617F-specific activation.
MeSH term(s)	Humans ; Receptors, Thrombopoietin/metabolism ; Cytokines/genetics ; Myeloproliferative Disorders/genetics ; Mutation ; Signal Transduction ; Janus Kinase 2/metabolism
Chemical Substances	Receptors, Thrombopoietin ; Cytokines ; Janus Kinase 2 (EC 2.7.10.2) ; JAK2 protein, human (EC 2.7.10.2)
Language	English
Publishing date	2023-08-24
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	80069-7
ISSN	1528-0020 ; 0006-4971
ISSN (online)	1528-0020
ISSN	0006-4971
DOI	10.1182/blood.2022019580
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