W. Jaroszewicz, Patrycja Bielańska, Daria Lubomska, Katarzyna Kosznik-Kwaśnicka, P. Golec, Łukasz Grabowski, E. Wieczerzak, Weronika Dróżdż, Lidia Gaffke, Karolina Pierzynowska, Zuzanna Cyske, A. Węgrzyn, G. Węgrzyn
: The ‘antibiotic crisis’, defined as appearance of microbial strains resistant to most, if not all, already known antibiotics, indicates that searching for previously unknown antimicrobial agents is crucial for further development of novel drugs which can be used to combat infections caused by bacteria and fungi. Bacteria living in untypical and extreme habitats appear to be a po-26 tentially reach source of such compounds. We have reported recently an isolation of newly identi-27 fied strains of Actinobacteria from the Szczelina Chochołowska cave (Tatra Mountains, Poland) . Some of them produced molecules revealing antibacterial, antifungal and anticancer properties. Here, we describe further characterization of the selected strains. Their microbiological properties, ability to form biofilms, and antimicrobial activities against various strains of bacteria and fungi are reported. The selected strains of newly isolated Actinobacteria belonging to the genus Streptomyces appear a promising source of previously unknown antimicrobial agents. have the version manuscript.
{"title":"Antimicrobial Activities of Compounds Produced by Newly Isolated Streptomyces Strains from Mountain Caves","authors":"W. Jaroszewicz, Patrycja Bielańska, Daria Lubomska, Katarzyna Kosznik-Kwaśnicka, P. Golec, Łukasz Grabowski, E. Wieczerzak, Weronika Dróżdż, Lidia Gaffke, Karolina Pierzynowska, Zuzanna Cyske, A. Węgrzyn, G. Węgrzyn","doi":"10.3390/eca2022-12749","DOIUrl":"https://doi.org/10.3390/eca2022-12749","url":null,"abstract":": The ‘antibiotic crisis’, defined as appearance of microbial strains resistant to most, if not all, already known antibiotics, indicates that searching for previously unknown antimicrobial agents is crucial for further development of novel drugs which can be used to combat infections caused by bacteria and fungi. Bacteria living in untypical and extreme habitats appear to be a po-26 tentially reach source of such compounds. We have reported recently an isolation of newly identi-27 fied strains of Actinobacteria from the Szczelina Chochołowska cave (Tatra Mountains, Poland) . Some of them produced molecules revealing antibacterial, antifungal and anticancer properties. Here, we describe further characterization of the selected strains. Their microbiological properties, ability to form biofilms, and antimicrobial activities against various strains of bacteria and fungi are reported. The selected strains of newly isolated Actinobacteria belonging to the genus Streptomyces appear a promising source of previously unknown antimicrobial agents. have the version manuscript.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126650183","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
: This study employed machine learning algorithms to identify lead compounds that inhibit 11 the antibiotic targets, DNA gyrase and Dihydrofolate reductase in Escherichia coli , and identified 12 new, multifaceted antimicrobial compounds. This study used three separate datasets: 1) 326 Esche-13 richia coli DNA gyrase inhibitors and 132 non-inhibitors, 2) 346 Escherichia coli Dihydrofolate re-14 ductase inhibitors and 176 non-inhibitors, and 3) 18387 non-specific drug-like chemicals. All da-15 tasets were then processed using ECFP-4 fingerprints and split into train, test, and validation da-16 tasets according to a 70-15-15 train-test-validation split. We explored the potential of six different 17 classification algorithms, all optimized with Bayesian optimization. Our results indicate that the 18 Gradient Boosting Classifier (GBC) performed the best at identifying a compound's efficacy towards 19 DNA gyrase with an accuracy, precision, recall, F1-score, and AUC of 0.91, 0.92, 0.86, 0.88, and 0.933, 20 respectively. The Random Forest Classifier (RFC) performed optimally for identifying a com-21 pound’s effectiveness towards Dihydrofolate reductase with an accuracy, precision, recall, F1 -score, 22 and AUC of 0.86, 0.83, 0.85, 0.84, and 0.944, respectively. As a result, the GBC and RFC were used 23 to search for compounds that inhibited both DNA gyrase and Dihydrofolate reductase. Out of 18387 24 compounds, we identified 5 novel compounds that have a predicted probability greater than 95% 25 to inhibit both DNA gyrase and Dihydrofolate reductase, suggesting a high antimicrobial potential. 26 The models evaluated in this study, particularly the GBC and RFC models, hold tremendous prom-27 ise in computationally screening large libraries of compounds for antimicrobial potential.
{"title":"A Systematic Implementation of Machine Learning Algorithms for Multifaceted Antimicrobial Screening of Lead Compounds","authors":"Justin Shen, Davesh Valagolam","doi":"10.3390/eca2022-12751","DOIUrl":"https://doi.org/10.3390/eca2022-12751","url":null,"abstract":": This study employed machine learning algorithms to identify lead compounds that inhibit 11 the antibiotic targets, DNA gyrase and Dihydrofolate reductase in Escherichia coli , and identified 12 new, multifaceted antimicrobial compounds. This study used three separate datasets: 1) 326 Esche-13 richia coli DNA gyrase inhibitors and 132 non-inhibitors, 2) 346 Escherichia coli Dihydrofolate re-14 ductase inhibitors and 176 non-inhibitors, and 3) 18387 non-specific drug-like chemicals. All da-15 tasets were then processed using ECFP-4 fingerprints and split into train, test, and validation da-16 tasets according to a 70-15-15 train-test-validation split. We explored the potential of six different 17 classification algorithms, all optimized with Bayesian optimization. Our results indicate that the 18 Gradient Boosting Classifier (GBC) performed the best at identifying a compound's efficacy towards 19 DNA gyrase with an accuracy, precision, recall, F1-score, and AUC of 0.91, 0.92, 0.86, 0.88, and 0.933, 20 respectively. The Random Forest Classifier (RFC) performed optimally for identifying a com-21 pound’s effectiveness towards Dihydrofolate reductase with an accuracy, precision, recall, F1 -score, 22 and AUC of 0.86, 0.83, 0.85, 0.84, and 0.944, respectively. As a result, the GBC and RFC were used 23 to search for compounds that inhibited both DNA gyrase and Dihydrofolate reductase. Out of 18387 24 compounds, we identified 5 novel compounds that have a predicted probability greater than 95% 25 to inhibit both DNA gyrase and Dihydrofolate reductase, suggesting a high antimicrobial potential. 26 The models evaluated in this study, particularly the GBC and RFC models, hold tremendous prom-27 ise in computationally screening large libraries of compounds for antimicrobial potential.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130786888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Bartolomeu, Cátia Vieira, Marta Gomes, Ana T. P. C. Gomes, M. Faustino, M. Neves, A. Almeida
{"title":"Photodynamic Inactivation of Phage Phi6 as SARS-CoV-2 Model in Wastewater Disinfection: Effectivity and Safety","authors":"M. Bartolomeu, Cátia Vieira, Marta Gomes, Ana T. P. C. Gomes, M. Faustino, M. Neves, A. Almeida","doi":"10.3390/eca2022-12707","DOIUrl":"https://doi.org/10.3390/eca2022-12707","url":null,"abstract":"","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"137 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127513705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. Melro, T. Tavares, J. Padrão, F. Dourado, M. Gama, Carla Silva, J. Antunes, H. Felgueiras, A. Zille
The considerable increase in microbial resistance against traditional antibiotics is leading towards alternative strategies to treat bacterial infections. Nisin Z is an antimicrobial peptide which exhibits a significant antibacterial activity against Gram-positive bacteria. Its efficacy against Gram-negative bacteria is limited, nonetheless it can be improved with the addition of surfactants, such as ethylenediaminetetraacetic acid (EDTA). The incorporation of peptide and other biomolecules within a biopolymer matrix provides protection maintaining their antimicrobial potential. Bacterial nanocellulose (BNC) has been widely used as wound dressings. Its impressive water retention capacity (>99 %) and porosity are beneficial to manage wounds due to its potential to absorb exudates, providing a breathable and humid environment. In this work, the functionalization of BNC with Nisin Z (BNC-NZ) via vacuum filtration is reported. The entrapment of the peptide inside the BNC films was confirmed through morphological characterization using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectrometry. Typical absorbance peaks of Nisin Z are easily identifiable at 1647 cm-1 (amide group) and 1520 cm − 1 (bending of primary amines). Thermal Gravimetric Analysis (TGA) suggested that Nisin Z did not interfere with the BNC matrix. The antimicrobial activity of Nisin Z against five of the most common bacteria found in burn wounds was verified by Minimum Bactericidal Concentration (MBC) ranging 8.0 – 256.0 µg/mL. Agar Diffusion and Shake Flask methods revealed the potential of BNC-NZ for prospective applications in burn wound dressings.
{"title":"Antimicrobial Activity of a Bacterial Nanocellulose Film Functionalized with Nisin Z for Prospective Burn Wounds Treatment","authors":"L. Melro, T. Tavares, J. Padrão, F. Dourado, M. Gama, Carla Silva, J. Antunes, H. Felgueiras, A. Zille","doi":"10.3390/eca2022-12708","DOIUrl":"https://doi.org/10.3390/eca2022-12708","url":null,"abstract":"The considerable increase in microbial resistance against traditional antibiotics is leading towards alternative strategies to treat bacterial infections. Nisin Z is an antimicrobial peptide which exhibits a significant antibacterial activity against Gram-positive bacteria. Its efficacy against Gram-negative bacteria is limited, nonetheless it can be improved with the addition of surfactants, such as ethylenediaminetetraacetic acid (EDTA). The incorporation of peptide and other biomolecules within a biopolymer matrix provides protection maintaining their antimicrobial potential. Bacterial nanocellulose (BNC) has been widely used as wound dressings. Its impressive water retention capacity (>99 %) and porosity are beneficial to manage wounds due to its potential to absorb exudates, providing a breathable and humid environment. In this work, the functionalization of BNC with Nisin Z (BNC-NZ) via vacuum filtration is reported. The entrapment of the peptide inside the BNC films was confirmed through morphological characterization using Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectrometry. Typical absorbance peaks of Nisin Z are easily identifiable at 1647 cm-1 (amide group) and 1520 cm − 1 (bending of primary amines). Thermal Gravimetric Analysis (TGA) suggested that Nisin Z did not interfere with the BNC matrix. The antimicrobial activity of Nisin Z against five of the most common bacteria found in burn wounds was verified by Minimum Bactericidal Concentration (MBC) ranging 8.0 – 256.0 µg/mL. Agar Diffusion and Shake Flask methods revealed the potential of BNC-NZ for prospective applications in burn wound dressings.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"197 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133977652","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. Gràcia, M. Arenere, B. Bonaga, Maria Angeles Allende, A. Frutos, T. Salvador, R. Fresquet, O. Pascual, J. M. Vinuesa
: Dalbavancin is a lipoglycopeptide indicated for the treatment of acute bacterial skin and skin structure infections. The aim of this study is to describe the cases in which dalbavancin has been used as an off-label use for the treatment of infections by gram-positive microorganisms. Methods: we carried out a case report series study of all patients treated with dalbavancin as off-label from January 2017 to March 2022. Results: Dalbavancin was administered to seventeen patients. The most frequent diagnosis was osteoarticular infection in 52.94%of patients. The principal isolated microorganism was Staphylococcus epidermidis (47.00%). The posology of dalbavancin was highly variable and the median number of days of treatment was 14 (1 – 56). At 3 months of treatment only 2 patient died for others reasons and no patient had reinfection. Conclusion: dalbavancin is an antibiotic with a novel dosage in infectious diseases of Gram-positive that proven to be high effective because no patient manifested symptoms of reinfection.
{"title":"Experience of Real-Life Use of Dalbavancin as an Off-Label Treatment of Complicated Infectious Diseases in a Tertiary Care Hospital Experience","authors":"R. Gràcia, M. Arenere, B. Bonaga, Maria Angeles Allende, A. Frutos, T. Salvador, R. Fresquet, O. Pascual, J. M. Vinuesa","doi":"10.3390/eca2022-12736","DOIUrl":"https://doi.org/10.3390/eca2022-12736","url":null,"abstract":": Dalbavancin is a lipoglycopeptide indicated for the treatment of acute bacterial skin and skin structure infections. The aim of this study is to describe the cases in which dalbavancin has been used as an off-label use for the treatment of infections by gram-positive microorganisms. Methods: we carried out a case report series study of all patients treated with dalbavancin as off-label from January 2017 to March 2022. Results: Dalbavancin was administered to seventeen patients. The most frequent diagnosis was osteoarticular infection in 52.94%of patients. The principal isolated microorganism was Staphylococcus epidermidis (47.00%). The posology of dalbavancin was highly variable and the median number of days of treatment was 14 (1 – 56). At 3 months of treatment only 2 patient died for others reasons and no patient had reinfection. Conclusion: dalbavancin is an antibiotic with a novel dosage in infectious diseases of Gram-positive that proven to be high effective because no patient manifested symptoms of reinfection.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"110 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128021014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
: Artemisinin-resistant plasmodium strains are becoming increasingly common in malaria patients, posing a serious threat to successful malaria management. Brosimone, a significant poly-phenolic ingredient of Artocarpus lakoocha , has previously been shown to have antimalarial activity in vitro. However, research into the precise mechanism of interactions is still in progress. The present study explored molecular modeling research in order to elucidate the likely mechanism of its anti-malarial effect as Falcipain-2 (FP-2) inhibition. Brosimone has the maximum binding affinity (docking score: − 8.1 Kcal/mol) against FP-2 from Plasmodium falciparum , according to our molecular docking analysis of 50 lakoocha bioactive chemicals. For numerous Artocarpus lakoocha polyphenols (ALP), used in-silico pharmacokinetics and toxicities and concluded that critical insights into the mechanism of action of Brosimone and other ALP as a potential therapeutic agent (2GHU) against malaria.
{"title":"A Systematic In Silico Investigation of Phytochemicals from Artocarpus Species against Plasmodium falciparum Inhibitors","authors":"Surabhi Chaurasia, Anima Pandey","doi":"10.3390/eca2022-12712","DOIUrl":"https://doi.org/10.3390/eca2022-12712","url":null,"abstract":": Artemisinin-resistant plasmodium strains are becoming increasingly common in malaria patients, posing a serious threat to successful malaria management. Brosimone, a significant poly-phenolic ingredient of Artocarpus lakoocha , has previously been shown to have antimalarial activity in vitro. However, research into the precise mechanism of interactions is still in progress. The present study explored molecular modeling research in order to elucidate the likely mechanism of its anti-malarial effect as Falcipain-2 (FP-2) inhibition. Brosimone has the maximum binding affinity (docking score: − 8.1 Kcal/mol) against FP-2 from Plasmodium falciparum , according to our molecular docking analysis of 50 lakoocha bioactive chemicals. For numerous Artocarpus lakoocha polyphenols (ALP), used in-silico pharmacokinetics and toxicities and concluded that critical insights into the mechanism of action of Brosimone and other ALP as a potential therapeutic agent (2GHU) against malaria.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"24 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132177430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
: Aspergillus flavus is a common human pathogen that releases mycotoxin into the host and is frequently treated with synthetic fungicides, but the fungicides have serious human health consequences. Natural products derived from higher plant species have long been investigated as a potential means of controlling pathogenic microorganisms. The indigenous vegetables Boesenbergia rotunda and Syzygium aromaticum are widely distributed in the tropical area. These plants have also been reported in traditional uses for the antimicrobial activity. The purpose of the study was to explore the antifungal susceptibility of dichloromethane and ethanol extracts of B. rotunda rhizomes and S. aromaticum flower buds by Soxhlet’s apparatus against A. flavus using the poison food The effective extract was also subjected to preliminary phytochemical screening tests. The experiment used a completely randomized design with triplications. B. rotunda ethanol extract 23 demonstrated significantly higher potential antifungal activity. The values of minimum inhibitory 24 concentration (MIC) and minimum fungicidal concentration (MFC) of B. rotunda ethanol extract 25 were 6.25 and 50 mg/ml, respectively, when tested using the macro-dilution method. According to 26 phytochemical tests, the ethanol extract also contained alkaloids, flavonoids, cardiac glycosides, and 27 saponins. The study suggests that a basic guideline for using this as an effective antifungal 28 compound should be separated from the B. rotunda ethanol extract in the future for topical anti-pathogenic fungus.
{"title":"In Vitro Antifungal Activity of Boesenbergia rotundo Linn. and Syzygium aromaticum L. Merr. and Perry Extracts against Aspergillus flavus","authors":"Pataraporn Uaraksakul, Pragatsawat Chanprapai","doi":"10.3390/eca2022-12687","DOIUrl":"https://doi.org/10.3390/eca2022-12687","url":null,"abstract":": Aspergillus flavus is a common human pathogen that releases mycotoxin into the host and is frequently treated with synthetic fungicides, but the fungicides have serious human health consequences. Natural products derived from higher plant species have long been investigated as a potential means of controlling pathogenic microorganisms. The indigenous vegetables Boesenbergia rotunda and Syzygium aromaticum are widely distributed in the tropical area. These plants have also been reported in traditional uses for the antimicrobial activity. The purpose of the study was to explore the antifungal susceptibility of dichloromethane and ethanol extracts of B. rotunda rhizomes and S. aromaticum flower buds by Soxhlet’s apparatus against A. flavus using the poison food The effective extract was also subjected to preliminary phytochemical screening tests. The experiment used a completely randomized design with triplications. B. rotunda ethanol extract 23 demonstrated significantly higher potential antifungal activity. The values of minimum inhibitory 24 concentration (MIC) and minimum fungicidal concentration (MFC) of B. rotunda ethanol extract 25 were 6.25 and 50 mg/ml, respectively, when tested using the macro-dilution method. According to 26 phytochemical tests, the ethanol extract also contained alkaloids, flavonoids, cardiac glycosides, and 27 saponins. The study suggests that a basic guideline for using this as an effective antifungal 28 compound should be separated from the B. rotunda ethanol extract in the future for topical anti-pathogenic fungus.","PeriodicalId":431431,"journal":{"name":"ECA 2022","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124565424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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