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Article ; Online: A historical insight into an announced tragedy: COVID-19 pandemic.

Bestetti, Reinaldo B / Freitas, Thiago S / Montes-Neto, Carlos E

International journal of clinical practice

2020 Volume 75, Issue 4, Page(s) e13808

Keywords	covid19
Language	English
Publishing date	2020-12-04
Publishing country	England
Document type	Journal Article
ZDB-ID	1386246-7
ISSN	1742-1241 ; 1368-5031
ISSN (online)	1742-1241
ISSN	1368-5031
DOI	10.1111/ijcp.13808
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Article: A historical insight into an announced tragedy: COVID-19 pandemic

Bestetti, Reinaldo B / Freitas, Thiago S / Montes-Neto, Carlos E

Int J Clin Pract

Abstract: The wet markets in southern China have long been supposed to be a time bomb. A new type of pneumonia was diagnosed by doctors in November, 2019 in Wuhan, southern China. The delay in recognizing the human transmission of the disease, and the delay to ... ...

Abstract	The wet markets in southern China have long been supposed to be a time bomb. A new type of pneumonia was diagnosed by doctors in November, 2019 in Wuhan, southern China. The delay in recognizing the human transmission of the disease, and the delay to take actions to curb the spread of the disease, particularly the long delay to stop flights inside and abroad when the disease had already been detected in three different continents, facilitate the spread of the new disease, later on called COVID-19.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #894763
Database	COVID19

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Article ; Online: Unlocking bacterial defense: Exploring the potent inhibition of NorA efflux pump by coumarin derivatives in Staphylococcus aureus.

Martin, Ana Luíza A R / Pereira, Raimundo Luiz Silva / Rocha, Janaína Esmeraldo / Farias, Pablo A M / Freitas, Thiago S / Caldas, Francisco Rodrigo de Lemos / Figueredo, Fernando G / Sampaio, Nadghia Figueiredo Leite / Oliveira-Tintino, Cícera Datiane de Morais / Tintino, Saulo Relison / da Hora, Gabriel Costa A / Lima, Maria Carolina Pacheco / de Menezes, Irwin Rose A / Carvalho, Diogo T / Coutinho, Henrique D M / Fonteles, Marta M F

Microbial pathogenesis

2024 Volume 190, Page(s) 106608

Abstract: The occurrence of bacterial resistance has been increasing, compromising the treatment of various infections. The high virulence of Staphylococcus aureus allows for the maintenance of the infectious process, causing many deaths and hospitalizations. The ... ...

Abstract	The occurrence of bacterial resistance has been increasing, compromising the treatment of various infections. The high virulence of Staphylococcus aureus allows for the maintenance of the infectious process, causing many deaths and hospitalizations. The MepA and NorA efflux pumps are transporter proteins responsible for expelling antimicrobial agents such as fluoroquinolones from the bacterial cell. Coumarins are phenolic compounds that have been studied for their diverse biological actions, including against bacteria. A pharmacokinetic in silico characterization of compounds C10, C11, C13, and C14 was carried out according to the principles of Lipinski's Rule of Five, in addition to searching for similarity in ChemBL and subsequent search for publications in CAS SciFinder. All compounds were evaluated for their in vitro antibacterial and modulatory activity against standard and multidrug-resistant Gram-positive and Gram-negative strains. The effect of coumarins C9, C10, C11, C13, and C14 as efflux pump inhibitors in Staphylococcus aureus strains was evaluated using the microdilution method (MepA or NorA) and fluorimetry (NorA). The behavior of coumarins regarding the efflux pump was determined from their interaction properties with the membrane and coumarin-protein using molecular docking and molecular dynamics simulations. Only the isolated coumarin compound C13 showed antibacterial activity against standard strains of Staphylococcus aureus and Escherichia coli. However, the other tested coumarins showed modulatory capacity for fluoroquinolone and aminoglycoside antibacterials. Compounds C10, C13, and C14 were effective in reducing the MIC of both antibiotics for both multidrug-resistant strains, while C11 potentiated the effect of norfloxacin and gentamicin for Gram-positive and Gram-negative bacteria and only norfloxacin for Gram-negative. Only coumarin C14 produced synergistic effects when associated with ciprofloxacin in MepA-carrying strains. All tested coumarins have the ability to inhibit the NorA efflux pump present in Staphylococcus aureus, both in reducing the MIC and inducing increased ethidium bromide fluorescence emission in fluorimetry. The findings of this study offer an atomistic perspective on the potential of coumarins as active inhibitors of the NorA pump, highlighting their specific mode of action mainly targeting protein inhibition. In molecular docking, it was observed that coumarins are capable of interacting with various amino acid residues of the NorA pump. The simulation showed that coumarin C10 can cross the bilayer; however, the other coumarins interacted with the membrane but were unable to cross it. Coumarins demonstrated their potentiating role in the effect of norfloxacin through a dual mechanism: efflux pump inhibition through direct interaction with the protein (C9, C10, C11, and C13) and increased interaction with the membrane (C10 and C13). In the context of pharmacokinetic prediction studies, the studied structures have a suitable chemical profile for possible oral use. We suggest that coumarin derivatives may be an interesting alternative in the future for the treatment of resistant bacterial infections, with the possibility of a synergistic effect with other antibacterials, although further studies are needed to characterize their therapeutic effects and toxicity.
MeSH term(s)	Coumarins/pharmacology ; Coumarins/chemistry ; Coumarins/metabolism ; Staphylococcus aureus/drug effects ; Microbial Sensitivity Tests ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/chemistry ; Molecular Docking Simulation ; Bacterial Proteins/metabolism ; Bacterial Proteins/antagonists & inhibitors ; Multidrug Resistance-Associated Proteins/antagonists & inhibitors ; Multidrug Resistance-Associated Proteins/metabolism ; Molecular Dynamics Simulation ; Drug Resistance, Multiple, Bacterial ; Gram-Negative Bacteria/drug effects ; Membrane Transport Proteins/metabolism
Chemical Substances	Coumarins ; NorA protein, Staphylococcus (133135-40-7) ; Anti-Bacterial Agents ; Bacterial Proteins ; Multidrug Resistance-Associated Proteins ; coumarin (A4VZ22K1WT) ; Membrane Transport Proteins
Language	English
Publishing date	2024-03-20
Publishing country	England
Document type	Journal Article
ZDB-ID	632772-2
ISSN	1096-1208 ; 0882-4010
ISSN (online)	1096-1208
ISSN	0882-4010
DOI	10.1016/j.micpath.2024.106608
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Article ; Online: In vitro and in silico antibacterial evaluation of coumarin derivatives against MDR strains of Staphylococcus aureus and Escherichia coli.

Martin, Ana Luíza A R / De Menezes, Irwin R A / Sousa, Amanda K / Farias, Pablo A M / Dos Santos, Francisco A V / Freitas, Thiago S / Figueredo, Fernando G / Ribeiro-Filho, Jaime / Carvalho, Diogo T / Coutinho, Henrique D M / Fonteles, Marta M F

Microbial pathogenesis

2023 Volume 177, Page(s) 106058

Abstract: The increase in antibiotic resistance rates has attracted the interest of researchers for antibacterial compounds capable of potentiating the activity of conventional antibiotics. Coumarin derivatives have been reported to develop effective ... ...

Abstract	The increase in antibiotic resistance rates has attracted the interest of researchers for antibacterial compounds capable of potentiating the activity of conventional antibiotics. Coumarin derivatives have been reported to develop effective antibacterials with possible new mechanisms of action for treating infectious diseases caused by bacteria with a profile of drug resistance. In this context, the aim of the present study we have now prepared one variety of new synthetic coumarins evaluating the pharmacokinetic and chemical similarity in silico, their antimicrobial activity against Staphylococcus aureus (ATCC 25923) and Escherichia coli (ATCC 25922), and potential for the modulation of antibiotic resistance against Staphylococcus aureus (SA10) and Escherichia coli (EC06) clinical isolate bacteria by in vitro assay. The antibacterial activity and antibiotic-enhancing properties were evaluated by the broth microdilution method and pharmacokinetically characterized according to the Lipinsk rule of 5 and had their similarity analyzed in databases such as ChemBL and CAS SciFinder. The results demonstrated that only compound C13 showed significant antibacterial activity (MIC ≤256 μg/mL), and all other coumarins did not display relevant antibacterial activity (MIC ≥1024 μg/mL). However, they did modulate the antibiotics activities to norfloxacin and gentamicin, except, compound C11 to norfloxacin against Staphylococcus aureus (SA10). The in silico properties prediction and drug-likeness results demonstrated that all coumarins presented a good drug-likeness score with no violations and promising in silico pharmacokinetic profiles showing that they have the potential to be developed into an oral drug. The results indicate that the coumarin derivatives showed good in vitro antibacterial activity. These new coumarin derivatives also demonstrated the capacity to modulate antibiotic resistance with potential synergy action for current antimicrobials assayed, as antibiotic adjuvants, to reduce the emergence of antimicrobial resistance.
MeSH term(s)	Humans ; Staphylococcus aureus ; Norfloxacin/pharmacology ; Escherichia coli ; Coumarins/pharmacology ; Coumarins/chemistry ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/chemistry ; Staphylococcal Infections/drug therapy ; Bacteria ; Microbial Sensitivity Tests
Chemical Substances	Norfloxacin (N0F8P22L1P) ; Coumarins ; Anti-Bacterial Agents
Language	English
Publishing date	2023-03-05
Publishing country	England
Document type	Journal Article
ZDB-ID	632772-2
ISSN	1096-1208 ; 0882-4010
ISSN (online)	1096-1208
ISSN	0882-4010
DOI	10.1016/j.micpath.2023.106058
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Article ; Online: In vitro and in silico evidences about the inhibition of MepA efflux pump by coumarin derivatives

Martin, Ana Luíza A.R. / Pereira, Raimundo Luiz Silva / Rocha, Janaína Esmeraldo / Farias, Pablo A.M. / Freitas, Thiago S. / de Lemos Caldas, Francisco Rodrigo / Figueredo, Fernando G. / Sampaio, Nadghia Figueiredo Leite / Ribeiro-Filho, Jaime / Menezes, Irwin Rose de Alencar / Brancaglion, Guilherme Andrade / de Paulo, Daniela Carvalho / Carvalho, Diogo T. / Lima, Micheline Azevedo / Coutinho, Henrique D.M. / Fonteles, Marta M.F.

Microbial Pathogenesis. 2023 Sept., v. 182 p.106246-

2023

Abstract: The discovery of antibiotics has significantly transformed the outcomes of bacterial infections in the last decades. However, the development of antibiotic resistance mechanisms has allowed an increasing number of bacterial strains to overcome the action ...

Abstract	The discovery of antibiotics has significantly transformed the outcomes of bacterial infections in the last decades. However, the development of antibiotic resistance mechanisms has allowed an increasing number of bacterial strains to overcome the action of antibiotics, decreasing their effectiveness against infections they were developed to treat. This study aimed to evaluate the antibacterial activity of synthetic coumarins Staphylococcus aureus in vitro and analyze their interaction with the MepA efflux pump in silico. The Minimum Inhibitory Concentration (MIC) determination showed that none of the test compounds have antibacterial activity. However, all coumarin derivatives decreased the MIC of the standard efflux inhibitor ethidium bromide, indicating antibacterial synergism. On the other hand, the C14 derivative potentiated the antibacterial activity of ciprofloxacin against the resistant strain. In silico analysis showed that C9, C11, and C13 coumarins showed the most favorable interaction with the MepA efflux pump. Nevertheless, due to the present in silico and in vitro investigation limitations, further experimental research is required to confirm the therapeutic potential of these compounds in vivo.
Keywords	Staphylococcus aureus ; antibacterial properties ; antibiotic resistance ; ciprofloxacin ; computer simulation ; coumarin ; ethidium ; minimum inhibitory concentration ; pathogenesis ; synergism ; therapeutics ; transporters ; Coumarin derivatives ; Molecular docking ; Efllux pump ; MepA
Language	English
Dates of publication	2023-09
Publishing place	Elsevier Ltd
Document type	Article ; Online
ZDB-ID	632772-2
ISSN	1096-1208 ; 0882-4010
ISSN (online)	1096-1208
ISSN	0882-4010
DOI	10.1016/j.micpath.2023.106246
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: In vitro and in silico evidences about the inhibition of MepA efflux pump by coumarin derivatives.

Martin, Ana Luíza A R / Pereira, Raimundo Luiz Silva / Rocha, Janaína Esmeraldo / Farias, Pablo A M / Freitas, Thiago S / de Lemos Caldas, Francisco Rodrigo / Figueredo, Fernando G / Sampaio, Nadghia Figueiredo Leite / Ribeiro-Filho, Jaime / Menezes, Irwin Rose de Alencar / Brancaglion, Guilherme Andrade / de Paulo, Daniela Carvalho / Carvalho, Diogo T / Lima, Micheline Azevedo / Coutinho, Henrique D M / Fonteles, Marta M F

Microbial pathogenesis

2023 Volume 182, Page(s) 106246

Abstract	The discovery of antibiotics has significantly transformed the outcomes of bacterial infections in the last decades. However, the development of antibiotic resistance mechanisms has allowed an increasing number of bacterial strains to overcome the action of antibiotics, decreasing their effectiveness against infections they were developed to treat. This study aimed to evaluate the antibacterial activity of synthetic coumarins Staphylococcus aureus in vitro and analyze their interaction with the MepA efflux pump in silico. The Minimum Inhibitory Concentration (MIC) determination showed that none of the test compounds have antibacterial activity. However, all coumarin derivatives decreased the MIC of the standard efflux inhibitor ethidium bromide, indicating antibacterial synergism. On the other hand, the C14 derivative potentiated the antibacterial activity of ciprofloxacin against the resistant strain. In silico analysis showed that C9, C11, and C13 coumarins showed the most favorable interaction with the MepA efflux pump. Nevertheless, due to the present in silico and in vitro investigation limitations, further experimental research is required to confirm the therapeutic potential of these compounds in vivo.
MeSH term(s)	Coumarins/pharmacology ; Multidrug Resistance-Associated Proteins ; Anti-Bacterial Agents/pharmacology ; Ciprofloxacin/pharmacology ; Staphylococcus aureus/metabolism ; Microbial Sensitivity Tests ; Bacterial Proteins/metabolism
Chemical Substances	Coumarins ; Multidrug Resistance-Associated Proteins ; Anti-Bacterial Agents ; Ciprofloxacin (5E8K9I0O4U) ; Bacterial Proteins
Language	English
Publishing date	2023-07-14
Publishing country	England
Document type	Journal Article
ZDB-ID	632772-2
ISSN	1096-1208 ; 0882-4010
ISSN (online)	1096-1208
ISSN	0882-4010
DOI	10.1016/j.micpath.2023.106246
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Article: Chemical characterization UPLC-ESI-QToF-MSE, antibacterial and antibiofilm potential of Sarcomphalus joazeiro (MART.) Hauenschild

Araújo, Nara J.S. / Silva, Ana Raquel P. / Costa, Maria S. / Freitas, Thiago S. / Filho, José M. Barbosa / Matos, Yedda M.L.S. / Morais-Braga, Maria Flaviana B. / Pereira Junior, Francisco N. / Silva, C.A.P. / Souza, Erlânio O. / Ribeiro, Paulo R.V. / de Lacerda, Bruna Caroline Gonçalves Vasconcelos / de Andrade, Edlane Martins / Coutinho, Henrique D.M. / Andrade-Pinheiro, Jacqueline C.

Food bioscience. 2022 Sept. 21,

2022

Abstract: The present study aims to demonstrate the chemical composition of the ethanolic extract of Sarcomphalus joazeiro bark and to evaluate its antibacterial and antibiofilm activity. For that, the ethanolic extract of the stem bark was prepared, and chemical ... ...

Abstract	The present study aims to demonstrate the chemical composition of the ethanolic extract of Sarcomphalus joazeiro bark and to evaluate its antibacterial and antibiofilm activity. For that, the ethanolic extract of the stem bark was prepared, and chemical characterization was carried out in UPLC-ESI-QToF-MSE. Minimum inhibitory concentration and antibiotic modification test were performed by the microdilution method. Formation and antiformation assays were evaluated by the crystal violet method. In the chemical characterization, the presence of 24 peaks was observed. Antibacterial activity showed minimum inhibitory concentration ≥2048 μg/mL. In the evaluations of the potentiating activity, synergism was the most evident. In the formation analysis, it was observed that most strains showed moderate biofilm formation. It was concluded that saponin derivatives are the major secondary metabolites in the analyzed extract and that it presents relevant synergism with the antibiotics studied and a significant ability to inhibit bacterial biofilm formation.
Keywords	antibacterial properties ; antibiotics ; bark ; biofilm ; chemical composition ; gentian violet ; minimum inhibitory concentration ; saponins ; secondary metabolites ; synergism
Language	English
Dates of publication	2022-0921
Publishing place	Elsevier Ltd
Document type	Article
Note	Pre-press version
ISSN	2212-4292
DOI	10.1016/j.fbio.2022.102066
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: UPLC-QTOF-MS/MS analysis and antibacterial activity of the Manilkara zapota (L.) P. Royen against Escherichia coli and other MDR bacteria.

Freitas, Thiago S / Campina, Fábia F / Costa, Maria S / Rocha, Janaí Na E / Cruz, Rafael P / Pinheiro, Jacqueline C A / Pereira-Júnior, Francisco N / Lima, Micheline A / Pires de Sá, Maí Sa Freire Cartaxo / Teixeira, Alexandre M R / Coutinho, Henrique D M

Cellular and molecular biology (Noisy-le-Grand, France)

2021 Volume 67, Issue 1, Page(s) 116–124

Abstract: With the spread of bacterial resistance against clinically used antibiotics, natural plant-derived products are being studied as new sources of antibacterial molecules. Manilkara zapota is a common plant species in the American continent that is used as ... ...

Abstract	With the spread of bacterial resistance against clinically used antibiotics, natural plant-derived products are being studied as new sources of antibacterial molecules. Manilkara zapota is a common plant species in the American continent that is used as a food source. Studies show the M. zapota extract is rich in phenolic substances that can serve as basic molecules for the pharmaceutical industry. An extract from fresh M. zapota leaves was produced and tested to identify the compounds present, as well as its direct antibacterial and clinical antibiotic modulatory activities. To analyze the results, a new statistical methodology based on the Shannon-Wiener index was tested, capable of correcting distortions in heterogeneous environments. The Hydroethanolic Extract of Manilkara zapota leaves (HEMzL) presented a wide variety of phenolic products, as well as tannins, in the UPLC analysis. The extract showed direct antibacterial activity against the standard Staphylococcus aureus strain, however, it either acted antagonistically when associated with the tested antibiotics, or it did not present statistical significance when compared to the control. This demonstrates a need to be cautious when associating natural products with antibiotics for clinical use, as a hindrance to infectious treatments may occur. As for the statistical analysis mechanism tested, this proved to be effective, reducing false negatives at low antibiotic concentrations and false positives at high concentrations in the microdilution plate.
MeSH term(s)	Animals ; Anti-Bacterial Agents/analysis ; Anti-Bacterial Agents/pharmacology ; Bacteria/classification ; Bacteria/drug effects ; Bacteria/growth & development ; Chromatography, Liquid/methods ; Drug Resistance, Multiple, Bacterial/drug effects ; Escherichia coli/drug effects ; Escherichia coli/physiology ; Escherichia coli Infections/microbiology ; Escherichia coli Infections/prevention & control ; Humans ; Manilkara/chemistry ; Microbial Sensitivity Tests/methods ; Phenols/analysis ; Phenols/pharmacology ; Phytotherapy/methods ; Plant Extracts/analysis ; Plant Extracts/chemistry ; Plant Extracts/pharmacology ; Plant Leaves/chemistry ; Tandem Mass Spectrometry/methods
Chemical Substances	Anti-Bacterial Agents ; Phenols ; Plant Extracts
Language	English
Publishing date	2021-01-31
Publishing country	France
Document type	Journal Article
ZDB-ID	1161779-2
ISSN	1165-158X ; 0145-5680
ISSN (online)	1165-158X
ISSN	0145-5680
DOI	10.14715/cmb/2021.67.1.18
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Article ; Online: In vitro and in silico studies of chalcones derived from natural acetophenone inhibitors of NorA and MepA multidrug efflux pumps in Staphylococcus aureus.

Freitas, Thiago S / Xavier, Jayze C / Pereira, Raimundo L S / Rocha, Janaína E / Campina, Fábia F / de Araújo Neto, José B / Silva, Maria M C / Barbosa, Cristina R S / Marinho, Emmanuel S / Nogueira, Carlos E S / Dos Santos, Hélcio S / Coutinho, Henrique D M / Teixeira, Alexandre M R

Microbial pathogenesis

2021 Volume 161, Issue Pt B, Page(s) 105286

Abstract: Bacterial resistance induced by efflux pumps is a frequent concern in clinical treatments involving multi-resistant bacteria. Staphylococcus aureus is a microorganism responsible for several types of infections and has several strains carrying efflux ... ...

Abstract	Bacterial resistance induced by efflux pumps is a frequent concern in clinical treatments involving multi-resistant bacteria. Staphylococcus aureus is a microorganism responsible for several types of infections and has several strains carrying efflux pumps, among them are the strain 1199B (NorA overexpresser), and the strain K2068 (MepA overexpresser). In this work, four chalcones derived from Croton anisodontus with modifications in the B ring in their structures were tested regarding their ability to inhibit NorA and MepA efflux pumps. The efflux pump inhibition mechanism was tested with the ethidium bromide substrate in the presence and absence of standard efflux pump inhibitors. The minimum inhibitory concentration values were also compared to those of strains that do not overexpress these efflux pumps. In order to gain some insights about the efflux pump mechanisms of these chalcones, two homology models were created (NorA and MepA) for a docking procedure. In addition, the ADME properties (absorption, distribution, metabolism and excretion) were also evaluated. The tested chalcones promoted synergism of the norfloxacin antibiotic by inhibiting associated efflux pumps. All four tested chalcones appear to bind to the binding sites of the efflux pump models in the same fashion as other chalcones with efflux pump inhibition capabilities. It was also verified that the chalcones 1-4 are well absorbed in the intestine, but with a decrease in their bioavailability, resulting in a low volume of distribution in the blood plasma, in addition to having a mild CNS activity. However, the chalcone 3 and 4 were not toxic due to metabolic activation. Whereas the chalcones 1 and 2 present a mutagenic risk, depending on the oral dose administered. The tested chalcones have not antibacterial activity; however, they are capable of inhibiting efflux pumps for the 1199B and K2068 strains. They promoted synergism of the norfloxacin antibiotic by inhibiting associated efflux pumps, as well as other associated mechanisms.
MeSH term(s)	Acetophenones/pharmacology ; Anti-Bacterial Agents/pharmacology ; Bacterial Proteins/metabolism ; Chalcone ; Chalcones/pharmacology ; Microbial Sensitivity Tests ; Multidrug Resistance-Associated Proteins ; Staphylococcus aureus/metabolism
Chemical Substances	Acetophenones ; Anti-Bacterial Agents ; Bacterial Proteins ; Chalcones ; Multidrug Resistance-Associated Proteins ; Chalcone (5S5A2Q39HX)
Language	English
Publishing date	2021-11-16
Publishing country	England
Document type	Journal Article
ZDB-ID	632772-2
ISSN	1096-1208 ; 0882-4010
ISSN (online)	1096-1208
ISSN	0882-4010
DOI	10.1016/j.micpath.2021.105286
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Article ; Online: ADMET study, spectroscopic characterization and effect of synthetic nitro chalcone in combination with norfloxacin, ciprofloxacin, and ethidium bromide against Staphylococcus aureus efflux pumps.

Rocha, Janaína E / de Freitas, Thiago S / Xavier, Jayze C / Pereira, Raimundo L S / Pereira Junior, Francisco N / Nogueira, Carlos E S / Marinho, Márcia M / Bandeira, Paulo N / Rodrigues, Leilane G / Marinho, Emmanuel S / de Lacerda, Bruna C G V / de Andrade, Edlane Martins / Teixeira, Alexandre M R / Dos Santos, Hélcio S / Coutinho, Henrique D M

Fundamental & clinical pharmacology

2022 Volume 37, Issue 1, Page(s) 163–173

Abstract: Chalcones are present in a wide variety of plants, having in their structure two aromatic rings that are linked together by a chain composed of three carbon atoms with α, β-unsaturated to carbonyl system. Bacteria have several drug resistance mechanisms, ...

Abstract	Chalcones are present in a wide variety of plants, having in their structure two aromatic rings that are linked together by a chain composed of three carbon atoms with α, β-unsaturated to carbonyl system. Bacteria have several drug resistance mechanisms, among them the efflux pump; this mechanism, when active, is able to expel different compounds from inside bacterial cells. Several efflux pumps have already been identified for Staphylococcus aureus bacteria, including MepA and NorA. Many chalcones have been isolated and identified with various activities, such as antimicrobial. In view of this, this article aimed to evaluate the antibiotic modifying effect of chalcone (E)-1-(2-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one against S. aureus carrier of NorA and MepA efflux pump. Regarding the antibiotic, there was a synergism when associated with ciprofloxacin in SA-K2068 strain, showing this chalcone as an alternative to reverse the resistance to this medicine. The physicochemical properties calculated were fundamental in the description of the predicted pharmacokinetic properties. Despite the mutagenic risk caused by the metabolic activation of nitrochalcone, it is possible to notice a pharmacological principle in a longer half-life for the performance of biological activities. The compound has a good bioavailability, as it is highly absorbed in the intestine and easily transported by plasma proteins, in addition to not presenting neurotoxic, hepatotoxic, and cardiotoxic damage.
MeSH term(s)	Humans ; Norfloxacin/pharmacology ; Ciprofloxacin/pharmacology ; Staphylococcus aureus ; Ethidium/metabolism ; Ethidium/pharmacology ; Chalcone/pharmacology ; Chalcone/metabolism ; Chalcones/pharmacology ; Multidrug Resistance-Associated Proteins ; Microbial Sensitivity Tests ; Anti-Bacterial Agents/pharmacology ; Staphylococcal Infections
Chemical Substances	Norfloxacin (N0F8P22L1P) ; Ciprofloxacin (5E8K9I0O4U) ; Ethidium (EN464416SI) ; Chalcone (5S5A2Q39HX) ; Chalcones ; Multidrug Resistance-Associated Proteins ; Anti-Bacterial Agents
Language	English
Publishing date	2022-09-16
Publishing country	England
Document type	Journal Article
ZDB-ID	639134-5
ISSN	1472-8206 ; 0767-3981
ISSN (online)	1472-8206
ISSN	0767-3981
DOI	10.1111/fcp.12830
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