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State-of-the-Art Molecular Pharmacology in Italy

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A topical collection in International Journal of Molecular Sciences (ISSN 1422-0067). This collection belongs to the section "Molecular Pharmacology".

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Prof. Dr. Carmine Ostacolo

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Department of Pharmacy, University of Napoli Federico II, Via D. Montesano 49, I-80131 Napoli, Italy
Interests: drug design and synthesis; pharmacokinetics; food-derived bioactive molecules; voltage-gated potassium channels; TRPM8

Prof. Dr. Diego Guidolin

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Pharmacology, School of Medicine, Padua University, Padua, Italy
Interests: G protein-coupled receptors; receptor-receptor interactions; non-synaptic forms of intercellular communication in the nervous system; neurobiology and neuroanatomy; biology and pharmacology of hyaluronic acid; quantitative methods in microscopic anatomy with particular reference to image analysis methods

Prof. Dr. Sebastiano Mercadante

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Main Regional Center for Pain Relief & Supportive Care, La Maddalena Cancer Center, 90100 Palermo, Italy
Interests: cancer pain; supportive care; symptom management; palliative care
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Dr. Patrizia Russo

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1. IRCCS "San Raffaele Pisana", Via di Valcannuta 247, I-00166 Roma, Italy
2. Department of Human Sciences and Quality of Life Promotion San Raffaele University, Via di Val Cannuta, 247, I-00166 Rome, Italy
Interests: research in nicotinic receptor in cancer; COPD; addiction; Alzheimer; systems medicine; Covid-19
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Dr. Andrea Angeli

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Neurofarba Department, University of Florence, Sesto Fiorentino, FI, Italy
Interests: metalloenzymes; carbonic anhydrase; medicinal chemistry; selenium; organochalcogenide comounds
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Topical Collection Information

Dear Colleagues,

Pharmacology is a discipline which deals with the interaction of a drug of natural, semisynthetic, or fully (bio)synthetic origin with a human or animal organism. Thus, it involves different disciplines at the interface of pharmacy/medicinal chemistry and physiology/pathophysiology in their broadest sense. It operates at various organizational levels, such as the molecular, subcellular, cellular, organ, and systemic platforms. Molecular pharmacology investigates the molecular mode of action of drugs, among others using genetic and molecular biology methods, and in consequence, it is one of the most rapidly developing fields of pharmacology.

Original research and review articles on molecular pharmacology are invited. The Section “Molecular Pharmacology” aims to publish the latest developments in cellular and molecular pharmacology with a major emphasis on the mechanism of action of novel drugs, innovative pharmacological technologies, cell signaling, transduction pathway analysis, genomics, proteomics, and metabonomics applications to drug action. An additional focus will be the way in which normal biological function is illuminated by knowledge of the action of drugs at the cellular and molecular level.

A large number of research teams in Italy from different institutions and universities are working together and devoting considerable efforts to developing and studying molecular pharmacology. This Topical Collection is committed to providing an overview of the macromolecular sciences and technologies in Italy.

Prof. Dr. Carmine Ostacolo
Prof. Dr. Diego Guidolin
Prof. Dr. Sebastiano Mercadante
Dr. Patrizia Russo
Dr. Andrea Angeli
Collection Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the collection website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

drug discovery
innovative pharmacological technologies
omic sciences
receptors
receptor complexes
immunological therapies
microvesicles and delivery systems
molecular modeling
high throughput screening

Published Papers (11 papers)

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2023

Jump to: 2022

57 pages, 2387 KiB

Open AccessReview

Canonical and Non-Canonical Antipsychotics’ Dopamine-Related Mechanisms of Present and Next Generation Molecules: A Systematic Review on Translational Highlights for Treatment Response and Treatment-Resistant Schizophrenia

by Andrea de Bartolomeis, Mariateresa Ciccarelli, Giuseppe De Simone, Benedetta Mazza, Annarita Barone and Licia Vellucci

Int. J. Mol. Sci. 2023, 24(6), 5945; https://doi.org/10.3390/ijms24065945 - 21 Mar 2023

Cited by 3 | Viewed by 3593

Abstract

Schizophrenia is a severe psychiatric illness affecting almost 25 million people worldwide and is conceptualized as a disorder of synaptic plasticity and brain connectivity. Antipsychotics are the primary pharmacological treatment after more than sixty years after their introduction in therapy. Two findings hold true for all presently available antipsychotics. First, all antipsychotics occupy the dopamine D2 receptor (D2R) as an antagonist or partial agonist, even if with different affinity; second, D2R occupancy is the necessary and probably the sufficient mechanism for antipsychotic effect despite the complexity of antipsychotics’ receptor profile. D2R occupancy is followed by coincident or divergent intracellular mechanisms, implying the contribution of cAMP regulation, β-arrestin recruitment, and phospholipase A activation, to quote some of the mechanisms considered canonical. However, in recent years, novel mechanisms related to dopamine function beyond or together with D2R occupancy have emerged. Among these potentially non-canonical mechanisms, the role of Na²⁺ channels at the dopamine at the presynaptic site, dopamine transporter (DAT) involvement as the main regulator of dopamine concentration at synaptic clefts, and the putative role of antipsychotics as chaperones for intracellular D2R sequestration, should be included. These mechanisms expand the fundamental role of dopamine in schizophrenia therapy and may have relevance to considering putatively new strategies for treatment-resistant schizophrenia (TRS), an extremely severe condition epidemiologically relevant and affecting almost 30% of schizophrenia patients. Here, we performed a critical evaluation of the role of antipsychotics in synaptic plasticity, focusing on their canonical and non-canonical mechanisms of action relevant to the treatment of schizophrenia and their subsequent implication for the pathophysiology and potential therapy of TRS. Full article

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16 pages, 3086 KiB

Open AccessArticle

Ameliorative Effect of Posidonia oceanica on High Glucose-Related Stress in Human Hepatoma HepG2 Cells

by Marzia Vasarri, Emanuela Barletta, Maria Stio, Maria Camilla Bergonzi, Andrea Galli and Donatella Degl’Innocenti

Int. J. Mol. Sci. 2023, 24(6), 5203; https://doi.org/10.3390/ijms24065203 - 08 Mar 2023

Cited by 1 | Viewed by 1558

Abstract

Metabolic disorders characterized by elevated blood glucose levels are a recognized risk factor for hepatocellular carcinoma (HCC). Lipid dysregulation is critically involved in the HCC progression, regulating energy storage, metabolism, and cell signaling. There is a clear link between de novo lipogenesis in the liver and activation of the NF-κB pathway, which is involved in cancer metastasis via regulation of metalloproteinases MMP-2/9. As conventional therapies for HCC reach their limits, new effective and safe drugs need to be found for the prevention and/or adjuvant therapy of HCC. The marine plant Posidonia oceanica (L.) Delile is endemic to the Mediterranean and has traditionally been used to treat diabetes and other health disorders. The phenol-rich leaf extract of Posidonia oceanica (POE) is known to have cell-safe bioactivities. Here, high glucose (HG) conditions were used to study lipid accumulation and fatty acid synthase (FASN) expression in human HepG2 hepatoma cells using Oil Red O and Western blot assays. Under HG conditions, the activation status of MAPKs/NF-κB axis and MMP-2/9 activity were determined by Western blot and gelatin zymography assays. The potential ameliorative role of POE against HG-related stress in HepG2 cells was then investigated. POE reduced lipid accumulation and FASN expression with an impact on de novo lipogenesis. Moreover, POE inhibited the MAPKs/NF-κB axis and, consequently, MMP-2/9 activity. Overall, these results suggest that P. oceanica may be a potential weapon in the HCC additional treatment. Full article

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24 pages, 3135 KiB

Open AccessArticle

Heteromerization of Dopamine D2 and Oxytocin Receptor in Adult Striatal Astrocytes

by Sarah Amato, Monica Averna, Diego Guidolin, Cristina Ceccoli, Elena Gatta, Simona Candiani, Marco Pedrazzi, Michela Capraro, Guido Maura, Luigi F. Agnati, Chiara Cervetto and Manuela Marcoli

Int. J. Mol. Sci. 2023, 24(5), 4677; https://doi.org/10.3390/ijms24054677 - 28 Feb 2023

Cited by 4 | Viewed by 2472

Abstract

The ability of oxytocin (OT) to interact with the dopaminergic system through facilitatory D2-OT receptor (OTR) receptor-receptor interaction in the limbic system is increasingly considered to play roles in social or emotional behavior, and suggested to serve as a potential therapeutic target. Although roles of astrocytes in the modulatory effects of OT and dopamine in the central nervous system are well recognized, the possibility of D2-OTR receptor-receptor interaction in astrocytes has been neglected. In purified astrocyte processes from adult rat striatum, we assessed OTR and dopamine D2 receptor expression by confocal analysis. The effects of activation of these receptors were evaluated in the processes through a neurochemical study of glutamate release evoked by 4-aminopyridine; D2-OTR heteromerization was assessed by co-immunoprecipitation and proximity ligation assay (PLA). The structure of the possible D2-OTR heterodimer was estimated by a bioinformatic approach. We found that both D2 and OTR were expressed on the same astrocyte processes and controlled the release of glutamate, showing a facilitatory receptor-receptor interaction in the D2-OTR heteromers. Biochemical and biophysical evidence confirmed D2-OTR heterodimers on striatal astrocytes. The residues in the transmembrane domains four and five of both receptors are predicted to be mainly involved in the heteromerization. In conclusion, roles for astrocytic D2-OTR in the control of glutamatergic synapse functioning through modulation of astrocytic glutamate release should be taken into consideration when considering interactions between oxytocinergic and dopaminergic systems in striatum. Full article

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23 pages, 5496 KiB

Open AccessArticle

Design, Synthesis and Pharmacological Evaluation of New Quinoline-Based Panx-1 Channel Blockers

by Letizia Crocetti, Maria Paola Giovannoni, Gabriella Guerrini, Silvia Lamanna, Fabrizio Melani, Gianluca Bartolucci, Marco Pallecchi, Paola Paoli, Martina Lippi, Junjie Wang and Gerhard Dahl

Int. J. Mol. Sci. 2023, 24(3), 2022; https://doi.org/10.3390/ijms24032022 - 19 Jan 2023

Cited by 2 | Viewed by 1671

Abstract

Pannexins are an interesting new target in medicinal chemistry, as they are involved in many pathologies such as epilepsy, ischemic stroke, cancer and Parkinson’s disease, as well as in neuropathic pain. They are a family of membrane channel proteins consisting of three members, Panx-1, Panx-2 and Panx-3, and are expressed in vertebrates. In the present study, as a continuation of our research in this field, we report the design, synthesis and pharmacological evaluation of new quinoline-based Panx-1 blockers. The most relevant compounds 6f and 6g show an IC₅₀ = 3 and 1.5 µM, respectively, and are selective Panx-1 blockers. Finally, chemical stability, molecular modelling and X-ray crystallography studies have been performed providing useful information for the realization of the project. Full article

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2022

Jump to: 2023

19 pages, 3772 KiB

Open AccessArticle

In Silico Identification and In Vitro Evaluation of New ABCG2 Transporter Inhibitors as Potential Anticancer Agents

by Simone Di Micco, Veronica Di Sarno, Martina Rossi, Vincenzo Vestuto, Takumi Konno, Sara Novi, Mario Felice Tecce, Valeria Napolitano, Tania Ciaglia, Andrea Vitale, Isabel Maria Gomez-Monterrey, Giuseppe Bifulco, Alessia Bertamino, Carmine Ostacolo, Paolo Blasi, Alessio Fasano, Pietro Campiglia and Simona Musella

Int. J. Mol. Sci. 2023, 24(1), 725; https://doi.org/10.3390/ijms24010725 - 31 Dec 2022

Cited by 3 | Viewed by 2136

Abstract

Different molecular mechanisms contribute to the development of multidrug resistance in cancer, including increased drug efflux, enhanced cellular repair mechanisms and alterations of drug metabolism or drug targets. ABCG2 is a member of the ATP-binding cassette superfamily transporters that promotes drug efflux, inducing chemotherapeutic resistance in malignant cells. In this context, the development of selective ABCG2 inhibitors might be a suitable strategy to improve chemotherapy efficacy. Thus, through a multidisciplinary approach, we identified a new ABCG2 selective inhibitor (8), highlighting its ability to increase mitoxantrone cytotoxicity in both hepatocellular carcinoma (EC₅₀from 8.67 ± 2.65 to 1.25 ± 0.80 μM) and transfected breast cancer cell lines (EC₅₀from 9.92 ± 2.32 to 2.45 ± 1.40 μM). Moreover, mitoxantrone co-administration in both transfected and non-transfected HEK293 revealed that compound 8 notably lowered the mitoxantrone EC_50, demonstrating its efficacy along with the importance of the ABCG2 extrusion pump overexpression in MDR reversion. These results were corroborated by evaluating the effect of inhibitor 8 on mitoxantrone cell uptake in multicellular tumor spheroids and via proteomic experiments. Full article

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13 pages, 2845 KiB

Open AccessArticle

The Histamine H₄ Receptor Participates in the Neuropathic Pain-Relieving Activity of the Histamine H₃ Receptor Antagonist GSK189254

by Vittoria Borgonetti and Nicoletta Galeotti

Int. J. Mol. Sci. 2022, 23(22), 14314; https://doi.org/10.3390/ijms232214314 - 18 Nov 2022

Cited by 1 | Viewed by 1323

Abstract

Growing evidence points to the histamine system as a promising target for the management of neuropathic pain. Preclinical studies reported the efficacy of H₃R antagonists in reducing pain hypersensitivity in models of neuropathic pain through an increase of histamine release within the CNS. Recently, a promising efficacy of H₄R agonists as anti-neuropathic agents has been postulated. Since H₃R and H₄R are both localized in neuronal areas devoted to pain processing, the aim of the study is to investigate the role of H₄R in the mechanism of anti-hyperalgesic action of the H₃R antagonist GSK189254 in the spared nerve injury (SNI) model in mice. Oral (6 mg/kg), intrathecal (6 µg/mouse), or intra locus coeruleus (LC) (10 µg/µL) administration of GSK189254 reversed mechanical and thermal allodynia in the ipsilateral side of SNI mice. This effect was completely prevented by pretreatment with the H₄R antagonist JNJ 10191584 (6 µg/mouse i.t.; (10 µg/µL intraLC). Furthermore, GSK189254 was devoid of any anti-hyperalgesic effect in H₄R deficient mice, compared with wild type mice. Conversely, pretreatment with JNJ 10191584 was not able to prevent the hypophagic activity of GSK189254. In conclusion, we demonstrated the selective contribution of H₄R to the H₃R antagonist-induced attenuation of hypernociceptive behavior in SNI mice. These results might help identify innovative therapeutic interventions for neuropathic pain. Full article

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16 pages, 2859 KiB

Open AccessArticle

Cytotoxicity, Mitochondrial Functionality, and Redox Status of Human Conjunctival Cells after Short and Chronic Exposure to Preservative-Free Bimatoprost 0.03% and 0.01%: An In Vitro Comparative Study

by Sabrina Petricca, Giuseppe Celenza, Ciro Costagliola, Fausto Tranfa and Roberto Iorio

Int. J. Mol. Sci. 2022, 23(22), 14113; https://doi.org/10.3390/ijms232214113 - 15 Nov 2022

Cited by 2 | Viewed by 1306

Abstract

Prostaglandin analogues (PGAs), including bimatoprost (BIM), are generally the first-line therapy for glaucoma due to their greater efficacy, safety, and convenience of use. Commercial solutions of preservative-free BIM (BIM 0.03% and 0.01%) are already available, although their topical application may result in ocular discomfort. This study aimed to evaluate the in vitro effects of preservative-free BIM 0.03% vs. 0.01% in the human conjunctival epithelial (HCE) cell line. Our results showed that long-term exposure to BIM 0.03% ensues a significant decrease in cell proliferation and viability. Furthermore, these events were associated with cell cycle arrest, apoptosis, and alterations of ΔΨ_m. BIM 0.01% does not exhibit cytotoxicity, and no negative influence on conjunctival cell growth and viability or mitochondrial activity has been observed. Short-time exposure also demonstrates the ability of BIM 0.03% to trigger reactive oxygen species (ROS) production and mitochondrial hyperpolarisation. An in silico drug network interaction was also performed to explore known and predicted interactions of BIM with proteins potentially involved in mitochondrial membrane potential dissipation. Our findings overall strongly reveal better cellular tolerability of BIM 0.01% vs. BIM 0.03% in HCE cells. Full article

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17 pages, 6419 KiB

Open AccessArticle

Natural and Synthetic Xanthone Derivatives Counteract Oxidative Stress via Nrf2 Modulation in Inflamed Human Macrophages

by Marialucia Gallorini, Simone Carradori, Diana I. S. P. Resende, Luciano Saso, Alessia Ricci, Andreia Palmeira, Amelia Cataldi, Madalena Pinto and Emília Sousa

Int. J. Mol. Sci. 2022, 23(21), 13319; https://doi.org/10.3390/ijms232113319 - 01 Nov 2022

Cited by 4 | Viewed by 1455

Abstract

Natural products have attracted attention due to their safety and potential effectiveness as anti-inflammatory drugs. Particularly, xanthones owning a unique 9H-xanthen-9-one scaffold, are endowed with a large diversity of medical applications, including antioxidant and anti-inflammatory activities, because their core accommodates a vast variety of substituents at different positions. Among others, α- and γ-mangostin are the major known xanthones purified from Garcinia mangostana with demonstrated anti-inflammatory and antioxidant effects by in vitro and in vivo modulation of the Nrf2 (nuclear factor erythroid-derived 2-like 2) pathway. However, the main mechanism of action of xanthones and their derivatives is still only partially disclosed, and further investigations are needed to improve their potential clinical outcomes. In this light, a library of xanthone derivatives was synthesized and biologically evaluated in vitro on human macrophages under pro-inflammatory conditions. Furthermore, structure–activity relationship (SAR) studies were performed by means of matched molecular pairs (MMPs). The data obtained revealed that the most promising compounds in terms of biocompatibility and counteraction of cytotoxicity are the ones that enhance the Nrf2 translocation, confirming a tight relationship between the xanthone scaffold and the Nrf2 activation as a sign of intracellular cell response towards oxidative stress and inflammation. Full article

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14 pages, 2403 KiB

Open AccessReview

Proteolysis Targeting Chimeric Molecules: Tuning Molecular Strategies for a Clinically Sound Listening

by Federica Pedrucci, Claudia Pappalardo, Giovanni Marzaro, Nicola Ferri, Alberto Ferlin and Luca De Toni

Int. J. Mol. Sci. 2022, 23(12), 6630; https://doi.org/10.3390/ijms23126630 - 14 Jun 2022

Cited by 7 | Viewed by 3719

Abstract

From seminal evidence in the early 2000s, the opportunity to drive the specific knockdown of a protein of interest (POI) through pharmacological entities called Proteolysis Targeting Chimeric molecules, or PROTACs, has become a possible therapeutic option with the involvement of these compounds in clinical trials for cancers and autoimmune diseases. The fulcrum of PROTACs pharmacodynamics is to favor the juxtaposition between an E3 ligase activity and the POI, followed by the ubiquitination of the latter and its degradation by the proteasome system. In the face of an apparently modular design of these drugs, being constituted by an E3 ligase binding moiety and a POI-binding moiety connected by a linker, the final structure of an efficient PROTAC degradation enhancer often goes beyond the molecular descriptors known to influence the biological activity, specificity, and pharmacokinetics, requiring a rational improvement through appropriate molecular strategies. Starting from the description of the basic principles underlying the activity of the PROTACs to the evaluation of the strategies for the improvement of pharmacodynamics and pharmacokinetics and rational design, this review examines the molecular elements that have been shown to be effective in allowing the evolution of these compounds from interesting proof of concepts to potential aids of clinical interest. Full article

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21 pages, 2607 KiB

Open AccessReview

Intercellular Communication in the Central Nervous System as Deduced by Chemical Neuroanatomy and Quantitative Analysis of Images: Impact on Neuropharmacology

by Diego Guidolin, Cinzia Tortorella, Manuela Marcoli, Guido Maura and Luigi F. Agnati

Int. J. Mol. Sci. 2022, 23(10), 5805; https://doi.org/10.3390/ijms23105805 - 22 May 2022

Cited by 8 | Viewed by 2220

Abstract

In the last decades, new evidence on brain structure and function has been acquired by morphological investigations based on synergic interactions between biochemical anatomy approaches, new techniques in microscopy and brain imaging, and quantitative analysis of the obtained images. This effort produced an expanded view on brain architecture, illustrating the central nervous system as a huge network of cells and regions in which intercellular communication processes, involving not only neurons but also other cell populations, virtually determine all aspects of the integrative function performed by the system. The main features of these processes are described. They include the two basic modes of intercellular communication identified (i.e., wiring and volume transmission) and mechanisms modulating the intercellular signaling, such as cotransmission and allosteric receptor–receptor interactions. These features may also open new possibilities for the development of novel pharmacological approaches to address central nervous system diseases. This aspect, with a potential major impact on molecular medicine, will be also briefly discussed. Full article

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14 pages, 18503 KiB

Open AccessArticle

The Effect of C-Phycocyanin on Microglia Activation Is Mediated by Toll-like Receptor 4

by Anna Piovan, Raffaella Filippini, Carla Argentini, Stefano Moro, Pietro Giusti and Morena Zusso

Int. J. Mol. Sci. 2022, 23(3), 1440; https://doi.org/10.3390/ijms23031440 - 27 Jan 2022

Cited by 5 | Viewed by 2175

Abstract

The blue-green alga Spirulina platensis is rich in phycocyanins, that exhibit a wide range of pharmacological actions. C-phycocyanin (C-PC), in particular, possesses hepatoprotective, nephroprotective, antioxidant, and anticancer effects. Furthermore, several studies have reported both anti- and proinflammatory properties of this pigment. However, the precise mechanism(s) of action of C-PC in these processes remain largely unknown. Therefore, here we explored the C-PC effect in in vitro microglia activation. The effect of C-PC on the expression and release of IL-1β and TNF-α and the activation of NF-κB was examined in primary microglia by real-time PCR, ELISA, and immunofluorescence. Treatment with C-PC up-regulated the expression and release of IL-1β and TNF-α. C-PC also promoted the nuclear translocation of the NF-κB transcription factor. Then, to elucidate the molecular mechanisms for the immunoregulatory function of C-PC, we focused on investigating the role of Toll-like receptor 4 (TLR4). Accordingly, several TLR4 inhibitors have been used. Curcumin, ciprofloxacin, L48H37, and CLI-095 that suppresses specifically TLR4 signaling, blocked IL-1β and TNF-α. Overall, these results indicate the immunomodulatory effect of C-PC in microglia cultures and show for the first time that the molecular mechanism implicated in this effect may involve TLR4 activation. Full article

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Published Papers (11 papers)

2023

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2022

Jump to: 2023

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