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Medicina
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Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology
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Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology

A special issue of Medicina (ISSN 1648-9144). This special issue belongs to the section "Pharmacology".

Deadline for manuscript submissions: closed (15 September 2022) | Viewed by 10388

Special Issue Editors

Dr. Daniel José Barbosa

E-Mail Website
Guest Editor
1. Associate Laboratory i4HB, Institute for Health and Bioeconomy, University Institute of Health Sciences—CESPU, 4585-116 Gandra, Portugal
2. UCIBIO—Applied Molecular Biosciences Unit, Translational Toxicology Research Laboratory, University Institute of Health Sciences (1H-TOXRUN, IUCS-CESPU), 4585-116 Gandra, Portugal
3. Institute for Research and Innovation in Health (i3S), University of Porto, Porto, Portugal
Interests: molecular motors; intracellular transport; cell biology; molecular biology; neurodegeneration; drugs of abuse; pharmacology; toxicology; neurotoxicology; forensic sciences
Special Issues, Collections and Topics in MDPI journals
Dr. Renata Silva

E-Mail Website
Co-Guest Editor
1. Associate Laboratory i4HB, Institute for Health and Bioeconomy, Faculty of Pharmacy, University of Porto, Porto, Portugal
2. UCIBIO—Applied Molecular Biosciences Unit, Laboratory of Toxicology, Department of Biological Sciences, Faculty of Pharmacy, University of Porto, Porto, Portugal
Interests: toxicology; pharmacology; ADME/toxicokinetics; membrane transporters; P-glycoprotein; neurodegeneration; drugs of abuse; drug discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In clinical practice, the use of pharmaceutical compounds represents the most powerful tool against disease states. For many pathologies, including psychiatric and neurological diseases, the available therapies mainly target the clinical manifestation of the disease, but are ineffective on its primary cause. It is, therefore, imperative for the continuous development of compounds with improved activity and devoid of significant toxicity. Thus, the evaluation of compounds’ pharmacological activity and potential toxicity, based on in vitro and in vivo systems, and readily measurable markers, can provide essential information on their biological properties. This could help in defining hit compounds with potential pharmaceutical applications.

On the other hand, drug discovery has been particularly relevant in the field of drug abuse, as new psychoactive substances have been increasingly developed, in order to bypass the drug screening protocols implemented by health and security authorities. However, for most of these drugs, their biological activity, particularly their toxicological profile, remains uncharacterized. This represents, therefore, an important concern for human health. Thus, the evaluation of drug safety and toxicity represents an increasing challenge worldwide.

Given the importance of the discovery and development of new compounds with biological activity in the fields of medicine, pharmacy, toxicology and research, the journal Medicina is launching this Special Issue.

We encourage you and your co-workers to submit your articles reporting on this wide topic. Reviews or original articles dealing with the cellular and molecular advances on drug discovery, pharmacology and toxicology, in in vitro and in vivo models, are particularly welcome. In addition, we warmly invite you to submit articles reporting on the evidence and expectations attained from in silico modeling of existing and novel compounds with potential biological activity.

Prof. Dr. Daniel José Barbosa
Prof. Dr. Renata Silva
Guest 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 special issue 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. Medicina is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • drug discovery
  • pharmacological activity
  • toxicological profile
  • in vitro models
  • in vivo models
  • new biological compounds
  • drugs of abuse

Related Special Issue

Published Papers (5 papers)

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Research

17 pages, 4986 KiB  
Article
The Role and Mechanism of Hyperoside against Depression-like Behavior in Mice via the NLRP1 Inflammasome
by Aoqi Song, Zhenghua Wu, Wenjuan Zhao, Wenqing Shi, Ru Cheng, Jingjing Jiang, Zhuojun Ni, Han Qu, Xijier Qiaolongbatu, Guorong Fan and Yuefen Lou
Medicina 2022, 58(12), 1749; https://doi.org/10.3390/medicina58121749 - 29 Nov 2022
Cited by 3 | Viewed by 1689
Abstract
Background and Objectives: Hypericum perforatum (HP) is widely used for depressive therapy. Nevertheless, the antidepressant effect and potential mechanism of hyperoside (Hyp), the main active component of HP, have not been determined. Materials and Methods: We performed ultra-performance liquid chromatography–quadrupole-time-of-flight–tandem mass spectrometry (UPLC-Q-TOF-MS/MS) [...] Read more.
Background and Objectives: Hypericum perforatum (HP) is widely used for depressive therapy. Nevertheless, the antidepressant effect and potential mechanism of hyperoside (Hyp), the main active component of HP, have not been determined. Materials and Methods: We performed ultra-performance liquid chromatography–quadrupole-time-of-flight–tandem mass spectrometry (UPLC-Q-TOF-MS/MS) technology to analyze the components in HP. Using data mining and network pharmacology methods, combined with Cytoscape v3.7.1 and other software, the active components, drug-disease targets, and key pathways of HP in the treatment of depression were evaluated. Finally, the antidepressant effects of Hyp and the mechanism involved were verified in chronic-stress-induced mice. Results: We identified 12 compounds from HP. Hyp, isoquercetin, and quercetin are the main active components of HP. The Traditional Chinese Medicine Systems Pharmacology Database (TCMSP), the Analysis Platform, DrugBank, and other databases were analyzed using data mining, and the results show that the active components of HP and depression are linked to targets such as TNF-, IL-2, TLR4, and so on. A potential signaling pathway that was most relevant to the antidepressant effects of Hyp is the C-type lectin receptor signaling pathway. Furthermore, the antidepressant effects of Hyp were examined, and it is verified for the first time that Hyp significantly alleviated depressive-like behaviors in chronic-stress-induced mice, which may be mediated by inhibiting the NLRP1 inflammasome through the CXCL1/CXCR2/BDNF signaling pathway. Conclusion: Hyp is one of the main active components of HP, and Hyp has antidepressant effects through the NLRP1 inflammasome, which may be connected with the CXCL1/CXCR2/BDNF signaling pathway. Full article
(This article belongs to the Special Issue Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology)
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9 pages, 2284 KiB  
Article
Protective Effects of Phosphatidylcholine against Hepatic and Renal Cell Injury from Advanced Glycation End Products
by Jihye Choi, Inbong Song, Sangmin Lee, Myungjo You and Jungkee Kwon
Medicina 2022, 58(11), 1519; https://doi.org/10.3390/medicina58111519 - 25 Oct 2022
Cited by 1 | Viewed by 1385
Abstract
Background and Objectives: Receptors of the advanced glycation products (RAGE) are activated to promote cell death and contributes to chronic diseases such as diabetes and inflammation. Advanced glycation end products (AGEs), which interact with RAGE are complex compounds synthesized during diabetes development and [...] Read more.
Background and Objectives: Receptors of the advanced glycation products (RAGE) are activated to promote cell death and contributes to chronic diseases such as diabetes and inflammation. Advanced glycation end products (AGEs), which interact with RAGE are complex compounds synthesized during diabetes development and are presumed to play a significant role in pathogenesis of diabetes. Phosphatidylcholine (PC), a polyunsaturated fatty acid found in egg yolk, mustard, and soybean, is thought to exert anti-inflammatory activity. We investigated the effects of PC on AGEs-induced hepatic and renal cell injury. Materials and Methods: In this study, we evaluated cytokine and NF-κB/MAPK signal pathway activity in AGEs induced human liver (HepG2) cells and human kidney (HK2) cells with and without PC treatment. Results: PC reduced RAGE expression and attenuated levels of inflammatory cytokines and NF-kB/MAPK signaling. Moreover, cells treated with PC exhibited a significant reduction in cytotoxicity, oxidative stress, and inflammatory factor levels. Conclusions: These findings suggest that PC could be an effective functional material for hepatic and renal injury involving with oxidative stress caused by AGEs during diabetic conditions. Full article
(This article belongs to the Special Issue Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology)
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18 pages, 2266 KiB  
Article
The Use of Chitosan-Coated Nanovesicles in Repairing Alcohol-Induced Damage of Liver Cells in Mice
by Loredana Nicoleta Hilițanu, Liliana Mititelu-Tarțău, Maria Bogdan, Beatrice Rozalina Buca, Ana-Maria Raluca Păuna, Liliana Lăcrămioara Pavel, Ana-Maria Pelin, Andreea-Daniela Meca and Grațiela Eliza Popa
Medicina 2022, 58(6), 762; https://doi.org/10.3390/medicina58060762 - 05 Jun 2022
Cited by 4 | Viewed by 2020
Abstract
Background and Objectives In the past few decades, the studies concerning the natural polysaccharide chitosan have been centered on a new direction: its hepatoprotective action. The aim of our study was to evaluate the influence of previously designed chitosan lipid vesicles on the [...] Read more.
Background and Objectives In the past few decades, the studies concerning the natural polysaccharide chitosan have been centered on a new direction: its hepatoprotective action. The aim of our study was to evaluate the influence of previously designed chitosan lipid vesicles on the liver damage induced by alcohol consumption in mice. Materials and Methods The study involved the oral administration of substances in one daily dose as follows: Group 1 (control): water; Group 2 (control alcohol): 5% alcohol in water; Group 3 (CHIT): 0.1 mL/10 g body weight chitosan solution in animals treated with alcohol; Group 4 (CHIT-ves): 0.1 mL/10 g body chitosan vesicles in animals treated with alcohol; Group 5 (AcA): 200 mg/kg body ascorbic acid in animals treated with alcohol. In order to evaluate liver damage after alcohol consumption, the following hematological parameters were tested: the activity of alanine aminotransferase, aspartate aminotransferase and lactate dehydrogenase; serum values of urea and creatinine; the phagocytic capacity of polymorphonuclear neutrophilsin peripheral blood;serum opsonic capacity;bactericidal capacity of peritoneal macrophages; and the activity of malondialdehyde, glutathione peroxidase, superoxide dismutase and lactate dehydrogenase. Results and Conclusions The treatment with chitosan vesicles decreased liver enzyme activity and reduced the oxidative stress disturbances in alcoholic mice, thus repairing the hepatic functional and structural damages. These beneficial activities of chitosan vesicles were comparable with ascorbic acid effects in alcoholic mice. Full article
(This article belongs to the Special Issue Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology)
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11 pages, 2284 KiB  
Article
Hemi-Babim and Fenoterol as Potential Inhibitors of MPro and Papain-like Protease against SARS-CoV-2: An In-Silico Study
by Ahmad Alzamami, Norah A. Alturki, Youssef Saeed Alghamdi, Shaban Ahmad, Saleh Alshamrani, Saeed A. Asiri and Mutaib M. Mashraqi
Medicina 2022, 58(4), 515; https://doi.org/10.3390/medicina58040515 - 05 Apr 2022
Cited by 18 | Viewed by 2151
Abstract
The coronaviruses belong to the Coronaviridae family, and one such member, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), is causing significant destruction around the world in the form of a global pandemic. Although vaccines have been developed, their effectiveness and level of protection is [...] Read more.
The coronaviruses belong to the Coronaviridae family, and one such member, severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), is causing significant destruction around the world in the form of a global pandemic. Although vaccines have been developed, their effectiveness and level of protection is still a major concern, even after emergency approval from the World Health Organisation (WHO). At the community level, no natural medicine is currently available as a cure. In this study, we screened the vast library from Drug Bank and identified Hemi-Babim and Fenoterol as agents that can work against SARS-CoV-2. Furthermore, we performed molecular dynamics (MD) simulation for both compounds with their respective proteins, providing evidence that the said drugs can work against the MPro and papain-like protease, which are the main drug targets. Inhibiting the action of these targets may lead to retaining the virus. Fenoterol is a beta-2 adrenergic agonist used for the symptomatic treatment of asthma as a bronchodilator and tocolytic. In this study, Hemi-Babim and Fenoterol showed good docking scores of −7.09 and −7.14, respectively, and performed well in molecular dynamics simulation studies. Re-purposing the above medications has huge potential, as their effects are already well-proven and under public utilisation for asthma-related problems. Hence, after the comprehensive pipeline of molecular docking, MMGBSA, and MD simulation studies, these drugs can be tested in-vivo for further human utilisation. Full article
(This article belongs to the Special Issue Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology)
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12 pages, 2079 KiB  
Article
Comparative Toxicity of Interferon Beta-1a Impurities of Heavy Metal Ions
by Dmitriy Berillo
Medicina 2022, 58(4), 463; https://doi.org/10.3390/medicina58040463 - 23 Mar 2022
Cited by 1 | Viewed by 2315
Abstract
Background and Objectives: Providing a proper quality control of drugs is essential for efficient treatment of various diseases minimizing the possible side effects of pharmaceutical active substances and potential impurities. Recent in vitro and in vivo studies have shown that certain heavy [...] Read more.
Background and Objectives: Providing a proper quality control of drugs is essential for efficient treatment of various diseases minimizing the possible side effects of pharmaceutical active substances and potential impurities. Recent in vitro and in vivo studies have shown that certain heavy metalloids and metals interfere with protein folding of nascent proteins in cells and their biological function can be altered. It is unknown whether the drug impurities including heavy metals may affect the tertiary protein structure. Materials and Methods: ReciGen and Rebif are pharmaceutical interferon beta-1a (IFNβ-1a) contained in preparations that are used for parenteral administration. Heavy metal impurities of these samples have been studied by gel electrophoresis, Fourier-transform infrared spectroscopy (FTIR) and inductively coupled plasma mass spectrometry analysis (ICP MS). The concentration of heavy metals including mercury, arsenic, nickel, chromium, iron, and aluminum did not exceed permitted levels established by International Council for Harmonisation guideline for elemental impurities. Results: The ICP MS analysis revealed the presence of heavy metals, moreover zeta potential was significantly different for IFNβ-1a, which can be an indirect indication of the difference in composition of ReciGen and Rebif samples, respectively. FTIR analysis revealed very similar amide I and II bonds at 1654 and 1560 cm−1 attributed to the peptide absorption peaks of IFNβ-1a in Rebif and ReciGen. Conclusions: It was hypothesized that the IFNβ-1a complex binds heavy metals affecting the tertiary protein structure and may lead to some side effects of drug administration. Further testing of IFNβ-1a bioequivalence for parenteral application is necessary. Full article
(This article belongs to the Special Issue Molecular and Cellular Advances on Drug Discovery, Pharmacology and Toxicology)
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