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Article ; Online: Mebendazole targets essential proteins in glucose metabolism leading gastric cancer cells to death.

da Silva, Emerson Lucena / Mesquita, Felipe Pantoja / Aragão, Dyane Rocha / de Sousa Portilho, Adrhyann Jullyanne / Marinho, Aline Diogo / de Oliveira, Lais Lacerda Brasil / Lima, Luina Benevides / de Moraes, Maria Elisabete Amaral / Souza, Pedro Filho Noronha / Montenegro, Raquel Carvalho

Toxicology and applied pharmacology

2023 Volume 475, Page(s) 116630

Abstract: Gastric cancer (GC) is among the most-diagnosed and deadly malignancies worldwide. Deregulation in cellular bioenergetics is a hallmark of cancer. Based on the importance of metabolic reprogramming for the development and cancer progression, inhibitors ... ...

Abstract	Gastric cancer (GC) is among the most-diagnosed and deadly malignancies worldwide. Deregulation in cellular bioenergetics is a hallmark of cancer. Based on the importance of metabolic reprogramming for the development and cancer progression, inhibitors of cell metabolism have been studied as potential candidates for chemotherapy in oncology. Mebendazole (MBZ), an antihelminthic approved by FDA, has shown antitumoral activity against cancer cell lines. However, its potential in the modulation of tumoral metabolism remains unclear. Results evidenced that the antitumoral and cytotoxic mechanism of MBZ in GC cells is related to the modulation of the mRNA expression of glycolic targets SLC2A1, HK1, GAPDH, and LDHA. Moreover, in silico analysis has shown that these genes are overexpressed in GC samples, and this increase in expression is related to decreased overall survival rates. Molecular docking revealed that MBZ modifies the protein structure of these targets, which may lead to changes in their protein function. In vitro studies also showed that MBZ induces alterations in glucose uptake, LDH's enzymatic activity, and ATP production. Furthermore, MBZ induced morphologic and intracellular alterations typical of the apoptotic cell death pathway. Thus, this data indicated that the cytotoxic mechanism of MBZ is related to an initial modulation of the tumoral metabolism in the GC cell line. Altogether, our results provide more evidence about the antitumoral mechanism of action of MBZ towards GC cells and reveal metabolic reprogramming as a potential area in the discovery of new pharmacological targets for GC chemotherapy.
MeSH term(s)	Humans ; Mebendazole/pharmacology ; Mebendazole/therapeutic use ; Stomach Neoplasms/drug therapy ; Cell Line, Tumor ; Molecular Docking Simulation ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Glucose
Chemical Substances	Mebendazole (81G6I5V05I) ; Antineoplastic Agents ; Glucose (IY9XDZ35W2)
Language	English
Publishing date	2023-07-18
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	204477-8
ISSN	1096-0333 ; 0041-008X
ISSN (online)	1096-0333
ISSN	0041-008X
DOI	10.1016/j.taap.2023.116630
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Article ; Online: Vasorelaxant effect of Alpinia zerumbet's essential oil on rat resistance artery involves blocking of calcium mobilization.

Rocha, Danilo Galvão / Holanda, Thais Muratori / Braz, Helyson Lucas Bezerra / de Moraes, João Alison Silveira / Marinho, Aline Diogo / Maia, Pedro Henrique Freitas / de Moraes, Maria Elisabete Amaral / Fechine-Jamacaru, Francisco Vagnaldo / de Moraes Filho, Manoel Odorico

Fitoterapia

2023 Volume 169, Page(s) 105623

Abstract: Alpinia zerumbet is a plant from the Zingiberaceae family, popularly used for hypertension treatment. Several studies have demonstrated Alpinia zerumbet vasodilator effect on conductance vessels but not on resistance vessels. Thereby, the aim of this ... ...

Abstract	Alpinia zerumbet is a plant from the Zingiberaceae family, popularly used for hypertension treatment. Several studies have demonstrated Alpinia zerumbet vasodilator effect on conductance vessels but not on resistance vessels. Thereby, the aim of this study was to verify the vasodilator effect of the essential oil of Alpinia zerumbet (EOAz) on isolated rat resistance arteries and characterize its mechanism of action. Therefore, the effect of EOAz (3 to 3000 μg/mL) was verified in second-order branches of the mesenteric artery (SOBMA) pre-contracted by KCl and U46619. To study the mechanism of action, the influence of several inhibitors (TEA, 4-AP, Glibenclamide, Atropine, L-NAME, ODQ and indomethacin) on the vasodilator effect of EOAz was evaluated. Some protocols were also performed aiming to study the effect of EOAz on Ca
MeSH term(s)	Rats ; Animals ; Vasodilator Agents/pharmacology ; Oils, Volatile/pharmacology ; Alpinia/chemistry ; Calcium ; NG-Nitroarginine Methyl Ester/pharmacology ; Molecular Docking Simulation ; Molecular Structure ; Arteries ; Vasodilation ; Endothelium, Vascular
Chemical Substances	Vasodilator Agents ; Oils, Volatile ; Calcium (SY7Q814VUP) ; NG-Nitroarginine Methyl Ester (V55S2QJN2X)
Language	English
Publishing date	2023-07-25
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	412385-2
ISSN	1873-6971 ; 0367-326X
ISSN (online)	1873-6971
ISSN	0367-326X
DOI	10.1016/j.fitote.2023.105623
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Article ; Online: New nitrosyl ruthenium complexes with combined activities for multiple cardiovascular disorders.

Gouveia Júnior, Florêncio Sousa / Silveira, João Alison de Moraes / Holanda, Thais Muratori / Marinho, Aline Diogo / Ridnour, Lisa A / Wink, David A / de Siqueira, Rodrigo José Bezerra / Monteiro, Helena Serra Azul / Sousa, Eduardo Henrique Silva de / Lopes, Luiz Gonzaga de França

Dalton transactions (Cambridge, England : 2003)

2023 Volume 52, Issue 16, Page(s) 5176–5191

Abstract: Nitrosyl ruthenium complexes are promising platforms for nitric oxide (NO) and nitroxyl (HNO) release, which exert their therapeutic application. In this context, we developed two polypyridinic compounds with the general ... ...

Abstract	Nitrosyl ruthenium complexes are promising platforms for nitric oxide (NO) and nitroxyl (HNO) release, which exert their therapeutic application. In this context, we developed two polypyridinic compounds with the general formula
MeSH term(s)	Animals ; Rats ; Coordination Complexes ; Nitric Oxide/chemistry ; Nitrogen Oxides/chemistry ; Ruthenium/chemistry ; Sulfhydryl Compounds/chemistry ; Cardiovascular Diseases
Chemical Substances	Coordination Complexes ; Nitric Oxide (31C4KY9ESH) ; Nitrogen Oxides ; nitroxyl (GFQ4MMS07W) ; Ruthenium (7UI0TKC3U5) ; Sulfhydryl Compounds
Language	English
Publishing date	2023-04-25
Publishing country	England
Document type	Journal Article
ZDB-ID	1472887-4
ISSN	1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
ISSN (online)	1477-9234 ; 1364-5447
ISSN	0300-9246 ; 1477-9226
DOI	10.1039/d3dt00059a
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Article ; Online: Effects of cilostazol, a Phosphodiesterase-3 inhibitor, on kidney function and redox imbalance in acute kidney injury caused by Bothrops alternatus venom.

Marinho, Aline Diogo / Coelho Jorge, Antônio Rafael / Nogueira Junior, Francisco Assis / Alison de Moraes Silveira, João / Rocha, Danilo Galvão / Negreiros Nunes Alves, Ana Paula / Ferreira, Rui Seabra / Bezerra Jorge, Roberta Jeane / Azul Monteiro, Helena Serra

Toxicon : official journal of the International Society on Toxinology

2022 Volume 220, Page(s) 106922

Abstract: The mechanisms of pathogenesis of acute kidney injury (AKI) in snakebites is multifactorial and involves hemodynamic disturbances, with release of free radical causing cytotoxic effects. The phosphodiesterase-3 (PDE3) inhibitor, Cilostazol, has been ... ...

Abstract	The mechanisms of pathogenesis of acute kidney injury (AKI) in snakebites is multifactorial and involves hemodynamic disturbances, with release of free radical causing cytotoxic effects. The phosphodiesterase-3 (PDE3) inhibitor, Cilostazol, has been reported to provide protection against renal oxidative stress. Objective: We evaluated the protective effects of cilostazol against Bothrops alternatus snake venom (BaV)-induced nephrotoxicity. Methods: Wistar rat kidneys (n = 6, 260-300 g) were isolated and perfused with Krebs-Henseleit solution containing 6 g/100 mL of bovine serum albumin. After 30 min, the kidneys were perfused with BaV to a final concentration of 1 and 3 μg/mL, and subsequently evaluated for perfusion pressure (PP), renal vascular resistance (RVR), urinary flow (UF), glomerular filtration rate (GFR), and percentage of electrolyte tubular sodium and chloride transport (%TNa Results: BaV caused a reduction in all the evaluated renal parameters (PP, RVR, GFR, UF, %TNa Conclusion: Our data suggest that PDE3 is involved in BaV-induced nephrotoxicity, as cilostazol administration significantly ameliorated these effects.
MeSH term(s)	Animals ; Rats ; Crotalid Venoms/pharmacology ; Bothrops ; Cilostazol/pharmacology ; Phosphodiesterase 3 Inhibitors/pharmacology ; Rats, Wistar ; Kidney ; Acute Kidney Injury/chemically induced ; Acute Kidney Injury/drug therapy ; Acute Kidney Injury/pathology ; Snake Venoms/pharmacology ; Oxidation-Reduction ; Phosphoric Diester Hydrolases/pharmacology
Chemical Substances	Crotalid Venoms ; Cilostazol (N7Z035406B) ; Phosphodiesterase 3 Inhibitors ; Snake Venoms ; Phosphoric Diester Hydrolases (EC 3.1.4.-)
Language	English
Publishing date	2022-09-24
Publishing country	England
Document type	Journal Article
ZDB-ID	204479-1
ISSN	1879-3150 ; 0041-0101
ISSN (online)	1879-3150
ISSN	0041-0101
DOI	10.1016/j.toxicon.2022.09.008
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Article: Effects of cilostazol, a Phosphodiesterase-3 inhibitor, on kidney function and redox imbalance in acute kidney injury caused by Bothrops alternatus venom

Toxicon. 2022 Sept. 09,

2022

Abstract	The mechanisms of pathogenesis of acute kidney injury (AKI) in snakebites is multifactorial and involves hemodynamic disturbances, with release of free radical causing cytotoxic effects. The phosphodiesterase-3 (PDE3) inhibitor, Cilostazol, has been reported to provide protection against renal oxidative stress. Objective: We evaluated the protective effects of cilostazol against Bothrops alternatus snake venom (BaV)-induced nephrotoxicity. Methods: Wistar rat kidneys (n = 6, 260–300 g) were isolated and perfused with Krebs-Henseleit solution containing 6 g/100 mL of bovine serum albumin. After 30 min, the kidneys were perfused with BaV to a final concentration of 1 and 3 μg/mL, and subsequently evaluated for perfusion pressure (PP), renal vascular resistance (RVR), urinary flow (UF), glomerular filtration rate (GFR), and percentage of electrolyte tubular sodium and chloride transport (%TNa⁺, %TCl–). Oxidative stress and renal histological analyses were performed. Results:BaV caused a reduction in all the evaluated renal parameters (PP, RVR, GFR, UF, %TNa⁺, and %TCl–). Although only the effects on PP and UF were reversed with cilostazol treatment, the decrease in the malondialdehyde levels, without changes in glutathione levels, further reduced the venom-induced renal tissue changes. Conclusion: Our data suggest that PDE3 is involved in BaV-induced nephrotoxicity, as cilostazol administration significantly ameliorated these effects.
Keywords	Bothrops ; acute kidney injury ; bovine serum albumin ; chlorides ; cytotoxicity ; electrolytes ; free radicals ; glomerular filtration rate ; glutathione ; hemodynamics ; histology ; malondialdehyde ; nephrotoxicity ; oxidative stress ; pathogenesis ; rats ; snake bites ; snake venoms ; sodium ; urea cycle
Language	English
Dates of publication	2022-0909
Publishing place	Elsevier Ltd
Document type	Article
Note	Pre-press version
ZDB-ID	204479-1
ISSN	1879-3150 ; 0041-0101
ISSN (online)	1879-3150
ISSN	0041-0101
DOI	10.1016/j.toxicon.2022.09.008
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Article ; Online: Mebendazole targets essential proteins in glucose metabolism leading gastric cancer cells to death

Toxicology and Applied Pharmacology. 2023 Sept., v. 475 p.116630-

2023

Abstract	Gastric cancer (GC) is among the most-diagnosed and deadly malignancies worldwide. Deregulation in cellular bioenergetics is a hallmark of cancer. Based on the importance of metabolic reprogramming for the development and cancer progression, inhibitors of cell metabolism have been studied as potential candidates for chemotherapy in oncology. Mebendazole (MBZ), an antihelminthic approved by FDA, has shown antitumoral activity against cancer cell lines. However, its potential in the modulation of tumoral metabolism remains unclear. Results evidenced that the antitumoral and cytotoxic mechanism of MBZ in GC cells is related to the modulation of the mRNA expression of glycolic targets SLC2A1, HK1, GAPDH, and LDHA. Moreover, in silico analysis has shown that these genes are overexpressed in GC samples, and this increase in expression is related to decreased overall survival rates. Molecular docking revealed that MBZ modifies the protein structure of these targets, which may lead to changes in their protein function. In vitro studies also showed that MBZ induces alterations in glucose uptake, LDH's enzymatic activity, and ATP production. Furthermore, MBZ induced morphologic and intracellular alterations typical of the apoptotic cell death pathway. Thus, this data indicated that the cytotoxic mechanism of MBZ is related to an initial modulation of the tumoral metabolism in the GC cell line. Altogether, our results provide more evidence about the antitumoral mechanism of action of MBZ towards GC cells and reveal metabolic reprogramming as a potential area in the discovery of new pharmacological targets for GC chemotherapy.
Keywords	apoptosis ; cell lines ; computer simulation ; cytotoxicity ; death ; drug therapy ; energy metabolism ; enzyme activity ; gene expression ; glucose ; mebendazole ; mechanism of action ; neoplasm cells ; neoplasm progression ; pharmacology ; protein structure ; stomach neoplasms ; toxicology ; Antitumoral ; Drug repurposing ; Glycolytic pathway ; Metabolic reprogramming ; Molecular docking ; Pharmacologic targets
Language	English
Dates of publication	2023-09
Publishing place	Elsevier Inc.
Document type	Article ; Online
Note	Pre-press version
ZDB-ID	204477-8
ISSN	1096-0333 ; 0041-008X
ISSN (online)	1096-0333
ISSN	0041-008X
DOI	10.1016/j.taap.2023.116630
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Article ; Online: Phosphodiesterase-5 inhibitor sildenafil attenuates kidney injury induced by Bothrops alternatus snake venom.

Jorge, Antônio Rafael Coelho / Marinho, Aline Diogo / Silveira, João Alison de Moraes / Nogueira Junior, Francisco Assis / de Aquino, Pedro Everson Alexandre / Alves, Ana Paula Negreiros Nunes / Jorge, Roberta Jeane Bezerra / Ferreira Junior, Rui Seabra / Monteiro, Helena Serra Azul

Toxicon : official journal of the International Society on Toxinology

2021 Volume 202, Page(s) 46–52

Abstract: Acute kidney injury pathogenesis in envenoming by snakes is multifactorial and involves immunologic reactions, hemodynamic disturbances, and direct nephrotoxicity. Sildenafil (SFC), a phosphodiesterase 5 inhibitor, has been reported to protect against ... ...

Abstract	Acute kidney injury pathogenesis in envenoming by snakes is multifactorial and involves immunologic reactions, hemodynamic disturbances, and direct nephrotoxicity. Sildenafil (SFC), a phosphodiesterase 5 inhibitor, has been reported to protect against pathological kidney changes. Objective: This study aimed to investigate the protective effect of sildenafil against Bothrops alternatus snake venom (BaV)-induced nephrotoxicity. Methods: Kidneys from Wistar rats (n = 6, weighing 260-300 g) were isolated and divided into four groups: (1) perfused with a modified Krebs-Henseleit solution (MKHS) containing 6 g% of bovine serum albumin; (2) administered 3 μg/mL SFC; (3) perfused with 3 μg/mL BaV; and (4) administered SFC + BaV, both at 3 μg/mL. Subsequently, the perfusion pressure (PP), renal vascular resistance (RVR), urinary flow (UF), glomerular filtration rate (GFR), and percentage of electrolyte tubular sodium and chloride transport (%TNa Results: All renal parameters evaluated were reduced with BaV. In the SFC + BaV group, SFC restored PP to normal values and promoted a significant increase in %TNa Conclusion: Our data suggest the involvement of phosphodiesterase-5 and cGMP in BaV-induced nephrotoxicity since its effects were attenuated by the administration of SFC.
MeSH term(s)	Animals ; Bothrops ; Cyclic Nucleotide Phosphodiesterases, Type 5 ; Kidney ; Phosphodiesterase 5 Inhibitors/therapeutic use ; Rats ; Rats, Wistar ; Sildenafil Citrate/therapeutic use ; Snake Venoms/toxicity
Chemical Substances	Phosphodiesterase 5 Inhibitors ; Snake Venoms ; Sildenafil Citrate (BW9B0ZE037) ; Cyclic Nucleotide Phosphodiesterases, Type 5 (EC 3.1.4.35)
Language	English
Publishing date	2021-09-10
Publishing country	England
Document type	Journal Article
ZDB-ID	204479-1
ISSN	1879-3150 ; 0041-0101
ISSN (online)	1879-3150
ISSN	0041-0101
DOI	10.1016/j.toxicon.2021.08.024
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Article: Phosphodiesterase-5 inhibitor sildenafil attenuates kidney injury induced by Bothrops alternatus snake venom

Toxicon. 2021 Oct. 30, v. 202

2021

Abstract	Acute kidney injury pathogenesis in envenoming by snakes is multifactorial and involves immunologic reactions, hemodynamic disturbances, and direct nephrotoxicity. Sildenafil (SFC), a phosphodiesterase 5 inhibitor, has been reported to protect against pathological kidney changes.This study aimed to investigate the protective effect of sildenafil against Bothrops alternatus snake venom (BaV)-induced nephrotoxicity.Kidneys from Wistar rats (n = 6, weighing 260–300 g) were isolated and divided into four groups: (1) perfused with a modified Krebs-Henseleit solution (MKHS) containing 6 g% of bovine serum albumin; (2) administered 3 μg/mL SFC; (3) perfused with 3 μg/mL BaV; and (4) administered SFC + BaV, both at 3 μg/mL. Subsequently, the perfusion pressure (PP), renal vascular resistance (RVR), urinary flow (UF), glomerular filtration rate (GFR), and percentage of electrolyte tubular sodium and chloride transport (%TNa⁺, %TCl⁻, respectively) were evaluated. The cyclic guanosine monophosphate (cGMP) levels were analyzed in the perfusate, and the kidneys were removed to perform oxidative stress and histopathological analyses.All renal parameters evaluated were reduced with BaV. In the SFC + BaV group, SFC restored PP to normal values and promoted a significant increase in %TNa⁺ and %TCl⁻. cGMP levels were increased in the SFC + BaV group. The oxidative stress biomarkers, malondialdehyde (MDA) and glutathione (GSH), were reduced by BaV. In the SFC + BaV group, a decrease in MDA without an increase in GSH was observed. These findings were confirmed by histological analysis, which showed improvement mainly in tubulis.Our data suggest the involvement of phosphodiesterase-5 and cGMP in BaV-induced nephrotoxicity since its effects were attenuated by the administration of SFC.
Keywords	Bothrops ; acute kidney injury ; biomarkers ; bovine serum albumin ; chlorides ; cyclic GMP ; electrolytes ; glomerular filtration rate ; glutathione ; hemodynamics ; histology ; histopathology ; kidneys ; malondialdehyde ; nephrotoxicity ; oxidative stress ; pathogenesis ; protective effect ; snake venoms ; sodium ; urea cycle
Language	English
Dates of publication	2021-1030
Size	p. 46-52.
Publishing place	Elsevier Ltd
Document type	Article
ZDB-ID	204479-1
ISSN	1879-3150 ; 0041-0101
ISSN (online)	1879-3150
ISSN	0041-0101
DOI	10.1016/j.toxicon.2021.08.024
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Article: A fingerprint of plasma proteome alteration after local tissue damage induced by Bothrops leucurus snake venom in mice

Cavalcante, Joeliton dos Santos / de Almeida, Cayo Antônio Soares / Clasen, Milan Avila / da Silva, Emerson Lucena / de Barros, Luciana Curtolo / Marinho, Aline Diogo / Rossini, Bruno Cesar / Marino, Celso Luís / Carvalho, Paulo Costa / Jorge, Roberta Jeane Bezerra / dos Santos, Lucilene Delazari

Journal of proteomics. 2022 Feb. 20, v. 253

2022

Abstract: Bothrops spp. is responsible for about 70% of snakebites in Brazil, causing a diverse and complex pathophysiological condition. Bothrops leucurus is the main species of medical relevance found in the Atlantic coast in the Brazilian Northeast region. The ... ...

Abstract	Bothrops spp. is responsible for about 70% of snakebites in Brazil, causing a diverse and complex pathophysiological condition. Bothrops leucurus is the main species of medical relevance found in the Atlantic coast in the Brazilian Northeast region. The pathophysiological effects involved B. leucurus snakebite as well as the organism's reaction in response to this envenoming, it has not been explored yet. Thus, edema was induced in mice paw using 1.2, 2.5, and 5.0 μg of B. leucurus venom, the percentage of edema was measured 30 min after injection and the blood plasma was collected and analyzed by shotgun proteomic strategy. We identified 80 common plasma proteins with differential abundance among the experimental groups and we can understand the early aspects of this snake envenomation, regardless of the suggestive severity of an ophidian accident. The results showed B. leucurus venom triggers a thromboinflammation scenario where family's proteins of the Serpins, Apolipoproteins, Complement factors and Component subunits, Cathepsins, Kinases, Oxidoreductases, Proteases inhibitors, Proteases, Collagens, Growth factors are related to inflammation, complement and coagulation systems, modulators platelets and neutrophils, lipid and retinoid metabolism, oxidative stress and tissue repair. Our findings set precedents for future studies in the area of early diagnosis and/or treatment of snakebites.The physiopathological effects that the snake venoms can cause have been investigated through classical and reductionist tools, which allowed, so far, the identification of action mechanisms of individual components associated with specific tissue damage. The currently incomplete limitations of this knowledge must be expanded through new approaches, such as proteomics, which may represent a big leap in understanding the venom-modulated pathological process. The exploration of the complete protein set that suffer modifications by the simultaneous action of multiple toxins, provides a map of the establishment of physiopathological phenotypes, which favors the identification of multiple toxin targets, that may or may not act in synergy, as well as favoring the discovery of biomarkers and therapeutic targets for manifestations that are not neutralized by the antivenom.
Keywords	Bothrops ; accidents ; antivenoms ; apolipoproteins ; biomarkers ; blood plasma ; cathepsins ; coagulation ; coasts ; complement ; early diagnosis ; edema ; inflammation ; metabolism ; neutrophils ; oxidative stress ; oxidoreductases ; phosphotransferases (kinases) ; proteome ; proteomics ; serpins ; snake bites ; snake venoms ; snakes ; therapeutics ; tissue repair ; toxins ; Brazil
Language	English
Dates of publication	2022-0220
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	2400835-7
ISSN	1876-7737 ; 1874-3919
ISSN (online)	1876-7737
ISSN	1874-3919
DOI	10.1016/j.jprot.2021.104464
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Article ; Online: In silico study of azithromycin, chloroquine and hydroxychloroquine and their potential mechanisms of action against SARS-CoV-2 infection.

Braz, Helyson Lucas Bezerra / Silveira, João Alison de Moraes / Marinho, Aline Diogo / de Moraes, Maria Elisabete Amaral / Moraes Filho, Manoel Odorico de / Monteiro, Helena Serra Azul / Jorge, Roberta Jeane Bezerra

International journal of antimicrobial agents

2020 Volume 56, Issue 3, Page(s) 106119

Abstract: Coronavirus disease 2019 (COVID-19) is a highly transmissible viral infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Clinical trials have reported improved outcomes resulting from an effective reduction or absence of ... ...

Abstract	Coronavirus disease 2019 (COVID-19) is a highly transmissible viral infection caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Clinical trials have reported improved outcomes resulting from an effective reduction or absence of viral load when patients were treated with chloroquine (CQ) or hydroxychloroquine (HCQ). In addition, the effects of these drugs were improved by simultaneous administration of azithromycin (AZM). The receptor-binding domain (RBD) of the SARS-CoV-2 spike (S) protein binds to the cell surface angiotensin-converting enzyme 2 (ACE2) receptor, allowing virus entry and replication in host cells. The viral main protease (M
MeSH term(s)	Amino Acid Motifs ; Angiotensin-Converting Enzyme 2 ; Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Azithromycin/chemistry ; Azithromycin/pharmacology ; Betacoronavirus/chemistry ; Betacoronavirus/metabolism ; Binding Sites ; COVID-19 ; Cathepsin L/antagonists & inhibitors ; Cathepsin L/chemistry ; Cathepsin L/metabolism ; Chloroquine/chemistry ; Chloroquine/pharmacology ; Coronavirus 3C Proteases ; Coronavirus Infections/drug therapy ; Coronavirus Infections/virology ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/metabolism ; Host-Pathogen Interactions/drug effects ; Host-Pathogen Interactions/genetics ; Humans ; Hydroxychloroquine/chemistry ; Hydroxychloroquine/pharmacology ; Molecular Docking Simulation ; Pandemics ; Peptidyl-Dipeptidase A/chemistry ; Peptidyl-Dipeptidase A/genetics ; Peptidyl-Dipeptidase A/metabolism ; Pneumonia, Viral/drug therapy ; Pneumonia, Viral/virology ; Protein Binding ; Protein Interaction Domains and Motifs ; Protein Structure, Secondary ; SARS-CoV-2 ; Spike Glycoprotein, Coronavirus/antagonists & inhibitors ; Spike Glycoprotein, Coronavirus/chemistry ; Spike Glycoprotein, Coronavirus/genetics ; Spike Glycoprotein, Coronavirus/metabolism ; Thermodynamics ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/chemistry ; Viral Nonstructural Proteins/metabolism ; Virus Attachment/drug effects
Chemical Substances	Antiviral Agents ; Spike Glycoprotein, Coronavirus ; Viral Nonstructural Proteins ; spike protein, SARS-CoV-2 ; Hydroxychloroquine (4QWG6N8QKH) ; Azithromycin (83905-01-5) ; Chloroquine (886U3H6UFF) ; Peptidyl-Dipeptidase A (EC 3.4.15.1) ; ACE2 protein, human (EC 3.4.17.23) ; Angiotensin-Converting Enzyme 2 (EC 3.4.17.23) ; Cysteine Endopeptidases (EC 3.4.22.-) ; CTSL protein, human (EC 3.4.22.15) ; Cathepsin L (EC 3.4.22.15) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Keywords	covid19
Language	English
Publishing date	2020-07-30
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1093977-5
ISSN	1872-7913 ; 0924-8579
ISSN (online)	1872-7913
ISSN	0924-8579
DOI	10.1016/j.ijantimicag.2020.106119
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Zs.A 3368: Show issues			Location: Je nach Verfügbarkeit (siehe Angabe bei Bestand) bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular Jg. 1995 - 2021: Lesesall (2.OG) ab Jg. 2022: Lesesaal (EG)
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