In plant biochemistry and physiology, coumarins are known as antioxidants, enzyme inhibitors and precursors of toxic substances. Nuclear magnetic resonance (NMR) spectra are primary sources of molecular structural data. NMR provides detailed information about the local environment of the atom which can be used to determine the atomic connectivity, stereochemistry, and molecular conformation. For many years the molecular structure has been determined by NMR spectroscopy and chemical shifts are determined manually with the help of computer programs. However, recent progress in computational chemistry and chemo/bioinformatics opened the possibility for the prediction of chemical shifts (especially those of 1H and 13C nuclei) of new chemicals. We analyzed the accuracy of three available chemoinformatics methods developed for the prediction of 1H and 13C chemical shifts based on deep neural networks CASCADE [1], an older prediction method based on classical neural networks NMRshiftDB [2,3], and group-contribution method in ChemDraw [4]. The mean absolute errors (MAEs) in the prediction of NMR shifts of four newly synthesized coumarins [5] by CASCADE, NMRshiftDB and ChemDraw are (respectively) 0.39, 0.65 and 0.32 ppm for 1H, and 1.5, 6.5 and 2.3 ppm for 13C atoms, shoving relatively big differences between these prediction methods.
{"title":"THE PREDICTION ACCURACY OF 1H AND 13C NMR CHEMICAL SHIFTS OF COUMARIN DERIVATIVES BY CHEMO/BIOINFORMATICS METHODS","authors":"D. Bešlo, M. Molnár, D. Agić, S. Roca, B. Lučić","doi":"10.46793/iccbi21.422b","DOIUrl":"https://doi.org/10.46793/iccbi21.422b","url":null,"abstract":"In plant biochemistry and physiology, coumarins are known as antioxidants, enzyme inhibitors and precursors of toxic substances. Nuclear magnetic resonance (NMR) spectra are primary sources of molecular structural data. NMR provides detailed information about the local environment of the atom which can be used to determine the atomic connectivity, stereochemistry, and molecular conformation. For many years the molecular structure has been determined by NMR spectroscopy and chemical shifts are determined manually with the help of computer programs. However, recent progress in computational chemistry and chemo/bioinformatics opened the possibility for the prediction of chemical shifts (especially those of 1H and 13C nuclei) of new chemicals. We analyzed the accuracy of three available chemoinformatics methods developed for the prediction of 1H and 13C chemical shifts based on deep neural networks CASCADE [1], an older prediction method based on classical neural networks NMRshiftDB [2,3], and group-contribution method in ChemDraw [4]. The mean absolute errors (MAEs) in the prediction of NMR shifts of four newly synthesized coumarins [5] by CASCADE, NMRshiftDB and ChemDraw are (respectively) 0.39, 0.65 and 0.32 ppm for 1H, and 1.5, 6.5 and 2.3 ppm for 13C atoms, shoving relatively big differences between these prediction methods.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"74 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75990627","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}
Bacterial biofilm is a complex community of bacterial cells enclosed in a polymer matrix and attached to a biotic or abiotic substrate. In this living form the bacteria are more resistant to antimicrobial agents than in the form of planktonic cells. Biofilm is a common cause of chronic infections in humans, so due to the growing resistance to antibiotics, alternative methods for controlling infections using medicinal plants have been proposed. In this study, the antibiofilm activity of ethanol and acetone extracts of plants Lamium album, Achillea millefolium and Agrimonia eupatoria against eight clinical isolates of human pathogenic bacteria was examined. Inhibition of biofilm formation was demonstrated using the crystal violet test and the effect on metabolic activity was confirmed by the use of resazurin dye test. Ethanol extract of L. album showed the greatest activity against P. aeruginosa (PA9) at a concentration of 20 mg/ml (> 80% of inhibition), while acetone extract acted at a concentration of 5 mg/ml (≥ 18%) against Klebsiella sp. (K9). At a concentration of 10 mg/ml, the ethanol extract of A. millefolium was effective against E. coli (E16) and P. aeruginosa (PA8) (> 70%), while the acetone extract was effective at 2.5 mg/ml (> 80%) against E. coli (E16). Ethanol and acetone extracts of A. eupatoria were effective at a concentration of 10 mg/ml (> 50%) against E. coli (E16). The antibiofilm activity of the tested plant extracts on certain clinical isolates indicates their great potential in the treatment of infections caused by biofilm-producing bacteria.
{"title":"ANTIBIOFILM ACTIVITY OF SELECTED PLANT SPECIES","authors":"Jelena N. Terzić, M. Stanković, O. Stefanović","doi":"10.46793/iccbi21.280t","DOIUrl":"https://doi.org/10.46793/iccbi21.280t","url":null,"abstract":"Bacterial biofilm is a complex community of bacterial cells enclosed in a polymer matrix and attached to a biotic or abiotic substrate. In this living form the bacteria are more resistant to antimicrobial agents than in the form of planktonic cells. Biofilm is a common cause of chronic infections in humans, so due to the growing resistance to antibiotics, alternative methods for controlling infections using medicinal plants have been proposed. In this study, the antibiofilm activity of ethanol and acetone extracts of plants Lamium album, Achillea millefolium and Agrimonia eupatoria against eight clinical isolates of human pathogenic bacteria was examined. Inhibition of biofilm formation was demonstrated using the crystal violet test and the effect on metabolic activity was confirmed by the use of resazurin dye test. Ethanol extract of L. album showed the greatest activity against P. aeruginosa (PA9) at a concentration of 20 mg/ml (> 80% of inhibition), while acetone extract acted at a concentration of 5 mg/ml (≥ 18%) against Klebsiella sp. (K9). At a concentration of 10 mg/ml, the ethanol extract of A. millefolium was effective against E. coli (E16) and P. aeruginosa (PA8) (> 70%), while the acetone extract was effective at 2.5 mg/ml (> 80%) against E. coli (E16). Ethanol and acetone extracts of A. eupatoria were effective at a concentration of 10 mg/ml (> 50%) against E. coli (E16). The antibiofilm activity of the tested plant extracts on certain clinical isolates indicates their great potential in the treatment of infections caused by biofilm-producing bacteria.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"53 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76820306","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}
Ana Rilak Simović, D. Lazić, Milica Međedović, D. Ćoćić, B. Petrović
We synthesized and characterized the ruthenium(III) pincer-type complex [RuCl3(H2Lt-Bu] (H2Lt- Bu = 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine, 1) by elemental analysis, IR and UV-Vis spectroscopy, and mass spectrometry (MS) method ESI Q-TOF. For comparison reason, we also studied ruthenium(III) terpyridine complexes of the general formula [Ru(N-N-N)Cl3] where N-N-N = 4′-chloro- terpyridine (Cl-tpy; 2) or 4′-chlorophenyl-terpyridine (Cl-Ph-tpy; 3). Kinetic study of the substitution reactions of 1–3 with biomolecules showed that the rate constants depend on the properties of the spectator ligand and the nature of the entering nucleophile. To gain further insight into the reactivity of ruthenium complexes with potential biological targets, we examined the interactions of 1 – 3 with DNA and HSA. The DNA/HSA binding study showed that in comparison to complex 1 (bis– pyrazolylpyridine), the other two (2 and 3) terpyridine complexes had a slightly better binding affinity to calf thymus DNA (CT DNA), while in the case of human serum albumin (HSA), complex 1 exhibited the most strong quenching ability.
{"title":"SYNTHESIS AND BIOLOGICAL ACTIVITY OF THE NEW PINCER TYPE RUTHENIUM(III) COMPLEX","authors":"Ana Rilak Simović, D. Lazić, Milica Međedović, D. Ćoćić, B. Petrović","doi":"10.46793/iccbi21.316rs","DOIUrl":"https://doi.org/10.46793/iccbi21.316rs","url":null,"abstract":"We synthesized and characterized the ruthenium(III) pincer-type complex [RuCl3(H2Lt-Bu] (H2Lt- Bu = 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine, 1) by elemental analysis, IR and UV-Vis spectroscopy, and mass spectrometry (MS) method ESI Q-TOF. For comparison reason, we also studied ruthenium(III) terpyridine complexes of the general formula [Ru(N-N-N)Cl3] where N-N-N = 4′-chloro- terpyridine (Cl-tpy; 2) or 4′-chlorophenyl-terpyridine (Cl-Ph-tpy; 3). Kinetic study of the substitution reactions of 1–3 with biomolecules showed that the rate constants depend on the properties of the spectator ligand and the nature of the entering nucleophile. To gain further insight into the reactivity of ruthenium complexes with potential biological targets, we examined the interactions of 1 – 3 with DNA and HSA. The DNA/HSA binding study showed that in comparison to complex 1 (bis– pyrazolylpyridine), the other two (2 and 3) terpyridine complexes had a slightly better binding affinity to calf thymus DNA (CT DNA), while in the case of human serum albumin (HSA), complex 1 exhibited the most strong quenching ability.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"52 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90656157","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}
Plants from the genus Scrophularia, family Scrophulariaceae have numerous biological activities such as antibacterial, antioxidant, antiprotozoal, antitumor, hepatoprotective, and antidiabetic. However, as far as we know, genotoxic and antigenotoxic effects of these two plant species remain unexplored. The present study aimed to evaluate possible in vivo protective effects of the methanol extracts of two plant species of the Scrophularia genus, Scrophularia canina L. and S. alata Gilib., against carbon tetrachloride (CCl4)-induced DNA damage in albino Wistar rat. A significant increase in total comet score has been shown in animals receiving CCl4 compared with the negative control. Treatment with either S. alata or S. canina extracts reduced CCl4 induced DNA damage as indicated by the percentage of reduction in total comet score with a value above 50%.
{"title":"DNA PROTECTIVE ACTIVITY OF TWO SPECIES OF THE „SCROPHULARIA“ GENUS 2021ICCBIKG (2021)","authors":"S. Matić, P. Mašković, Katarina Šipovac","doi":"10.46793/iccbi21.218m","DOIUrl":"https://doi.org/10.46793/iccbi21.218m","url":null,"abstract":"Plants from the genus Scrophularia, family Scrophulariaceae have numerous biological activities such as antibacterial, antioxidant, antiprotozoal, antitumor, hepatoprotective, and antidiabetic. However, as far as we know, genotoxic and antigenotoxic effects of these two plant species remain unexplored. The present study aimed to evaluate possible in vivo protective effects of the methanol extracts of two plant species of the Scrophularia genus, Scrophularia canina L. and S. alata Gilib., against carbon tetrachloride (CCl4)-induced DNA damage in albino Wistar rat. A significant increase in total comet score has been shown in animals receiving CCl4 compared with the negative control. Treatment with either S. alata or S. canina extracts reduced CCl4 induced DNA damage as indicated by the percentage of reduction in total comet score with a value above 50%.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"42 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91185210","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}
J. Sekulić, M. Stojanović, Tanja B. Trakić, S. Radosavljević, Filip Popović
This paper presents the currently known records on the diversity of earthworm fauna on Šar Mountain. The Šar Mt. is located in the south part of Serbia and is a part of the Šar-Pindus Mountain system. The complete list of present taxa of the family Lumbricidae in the researches area was formed by reviewing data from old collections, relevant literary sources and by its own field research in the period from 2019 to 2020. The list comprises 24 taxa, belonging to 10 genera of the family Lumbricidae. The genera with the largest number of the registered taxa are Dendrobaena (7) and Aporrectodea (5), while the genera Bimastos, Eiseniella, Helodrilus, Octodrilus and Octolasion are represented by one taxon. With respect to the zoogeographical analysis, the majority of the recorded taxa belong to the group of peregrine species (12). The endemic species are represented by two taxa and belong to the genera Dendrobaena and Helodrilus. The Balkan endemic subspecies Helodrilus balcanicus plavensis (Karaman, 1972) and illyric Dendrobaena illyrica (Cognetti, 1906), were recorded on new sites from the Šar Mt., that represent the southernmost limits of the geographical range of these species at the moment.
{"title":"DIVERSITY OF EARTHWORMS (CLITELLATA: OLIGOCHAETA) FROM SERBIAN SIDE OF ŠAR MOUNTAIN","authors":"J. Sekulić, M. Stojanović, Tanja B. Trakić, S. Radosavljević, Filip Popović","doi":"10.46793/iccbi21.198s","DOIUrl":"https://doi.org/10.46793/iccbi21.198s","url":null,"abstract":"This paper presents the currently known records on the diversity of earthworm fauna on Šar Mountain. The Šar Mt. is located in the south part of Serbia and is a part of the Šar-Pindus Mountain system. The complete list of present taxa of the family Lumbricidae in the researches area was formed by reviewing data from old collections, relevant literary sources and by its own field research in the period from 2019 to 2020. The list comprises 24 taxa, belonging to 10 genera of the family Lumbricidae. The genera with the largest number of the registered taxa are Dendrobaena (7) and Aporrectodea (5), while the genera Bimastos, Eiseniella, Helodrilus, Octodrilus and Octolasion are represented by one taxon. With respect to the zoogeographical analysis, the majority of the recorded taxa belong to the group of peregrine species (12). The endemic species are represented by two taxa and belong to the genera Dendrobaena and Helodrilus. The Balkan endemic subspecies Helodrilus balcanicus plavensis (Karaman, 1972) and illyric Dendrobaena illyrica (Cognetti, 1906), were recorded on new sites from the Šar Mt., that represent the southernmost limits of the geographical range of these species at the moment.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73630154","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}
D. Stojković, V. Jevtić, Đ. Petrović, Sandra S. Jovičić Milić, N. Vukovic, Milena D. Vukić, B. Stojanovic
This paper examines the synthesis of two new complexes of platinum(II/IV) ion, general formula [PtL2]Cl2 and [PtL2]Cl4, where L is 2-amino-5-methyl-4-phenylthiazole. The structures of the above mentioned compounds were determined by elemental microanalysis, infrared, 1H and 13C NMR spectroscopy.
{"title":"SYNTHESIS AND CHARACTERIZATION OF PLATINUM(II/IV) COMPLEXES WITH 2-AMINO-5-METHYL-4-PHENYLTHIAZOLE","authors":"D. Stojković, V. Jevtić, Đ. Petrović, Sandra S. Jovičić Milić, N. Vukovic, Milena D. Vukić, B. Stojanovic","doi":"10.46793/iccbi21.339s","DOIUrl":"https://doi.org/10.46793/iccbi21.339s","url":null,"abstract":"This paper examines the synthesis of two new complexes of platinum(II/IV) ion, general formula [PtL2]Cl2 and [PtL2]Cl4, where L is 2-amino-5-methyl-4-phenylthiazole. The structures of the above mentioned compounds were determined by elemental microanalysis, infrared, 1H and 13C NMR spectroscopy.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74425144","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}
Z. Car, N. Anđelić, I. Lorencin, J. Musulin, D. Štifanić, Sandi Baressi Baressi Šegota
The collection of image data is an extremely common procedure in clinical practice today. Many of the diagnostic approaches generate such data – computed tomography (CT), X-ray radiography, magnetic resonance imaging (MRI), and others. This data collection process allows for the use of computer vision approaches to be applied with the goal of analysis and diagnostics. Artificial Intelligence (AI) based algorithms have repeatedly been shown to be the best performing computer vision algorithms, in many fields including medicine. AI-based – or more precisely machine learning (ML) based, algorithms have capabilities which allow them to learn the patterns contained in the data from the data itself. Among the best performing algorithms are artificial neural networks (ANNs), or more precisely convolutional neural networks (CNNs). Their pitfall is the need for the large amounts of data – but as it has been previously mentioned, the amount of data collected in today’s clinical practice is large and ever increasing. This allows for the development of Smart Diagnostic systems which are meant to serve as support systems to the health professionals. In this paper first, the standard practices and review of the field is given – with the focus on challenges and best practices. Then, multiple examples of the research applying AI-based algorithm analysis are given – including diagnostics of various cancer types (bladder and oral) as well as COVID-19 severity diagnostics and image quality determination.
{"title":"APPLICATION OF ARTIFICIAL INTELLIGENCE-BASED IMAGE ANALYSIS IN BIOINFORMATICS","authors":"Z. Car, N. Anđelić, I. Lorencin, J. Musulin, D. Štifanić, Sandi Baressi Baressi Šegota","doi":"10.46793/iccbi21.047c","DOIUrl":"https://doi.org/10.46793/iccbi21.047c","url":null,"abstract":"The collection of image data is an extremely common procedure in clinical practice today. Many of the diagnostic approaches generate such data – computed tomography (CT), X-ray radiography, magnetic resonance imaging (MRI), and others. This data collection process allows for the use of computer vision approaches to be applied with the goal of analysis and diagnostics. Artificial Intelligence (AI) based algorithms have repeatedly been shown to be the best performing computer vision algorithms, in many fields including medicine. AI-based – or more precisely machine learning (ML) based, algorithms have capabilities which allow them to learn the patterns contained in the data from the data itself. Among the best performing algorithms are artificial neural networks (ANNs), or more precisely convolutional neural networks (CNNs). Their pitfall is the need for the large amounts of data – but as it has been previously mentioned, the amount of data collected in today’s clinical practice is large and ever increasing. This allows for the development of Smart Diagnostic systems which are meant to serve as support systems to the health professionals. In this paper first, the standard practices and review of the field is given – with the focus on challenges and best practices. Then, multiple examples of the research applying AI-based algorithm analysis are given – including diagnostics of various cancer types (bladder and oral) as well as COVID-19 severity diagnostics and image quality determination.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"109 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76681356","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}
Ž. Čupić, Ana I vanović Šašić, S. Maćešić, S. Anic, Ljiljana Kolar- Anić
The first discovered homogeneous oscillatory reaction was the Bray-Liebhafsky (BL) one, described in a paper published exactly 100 years ago. However, the applicability of oscillatory reactions in chemical computing was recently discovered. Here we intend to expose the native computing concept applied to intermittent states of the BL reaction, because we believe that this particular state may have some advantages. For this purpose, numerical simulations will be used based on the known model. Sequences of perturbations will be introduced by adding iodate (IO3-) and hydrogen peroxide (H2O2), separately, as well as in various combinations with one another. It will be shown that dynamic states obtained after perturbations with same species depend very much on the sequence in which these species were used in perturbations. Additionally, it will be shown that obtained dynamic states shift the system from chaotic intermittent dynamic state to different complex periodic states. Hence, the applicability of the BL reaction system in chemical computing was demonstrated.
{"title":"APPLICABILITY OF BRAY-LIEBHAFSKY REACTION FOR CHEMICAL COMPUTING","authors":"Ž. Čupić, Ana I vanović Šašić, S. Maćešić, S. Anic, Ljiljana Kolar- Anić","doi":"10.46793/iccbi21.431c","DOIUrl":"https://doi.org/10.46793/iccbi21.431c","url":null,"abstract":"The first discovered homogeneous oscillatory reaction was the Bray-Liebhafsky (BL) one, described in a paper published exactly 100 years ago. However, the applicability of oscillatory reactions in chemical computing was recently discovered. Here we intend to expose the native computing concept applied to intermittent states of the BL reaction, because we believe that this particular state may have some advantages. For this purpose, numerical simulations will be used based on the known model. Sequences of perturbations will be introduced by adding iodate (IO3-) and hydrogen peroxide (H2O2), separately, as well as in various combinations with one another. It will be shown that dynamic states obtained after perturbations with same species depend very much on the sequence in which these species were used in perturbations. Additionally, it will be shown that obtained dynamic states shift the system from chaotic intermittent dynamic state to different complex periodic states. Hence, the applicability of the BL reaction system in chemical computing was demonstrated.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"41 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76240513","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}
Milena Živković, D. Nikezic, T. Miladinović, J. Stajic, D. Krstić
The goal of this research is to determine the levels of natural and artificial radioactivity in 13 different samples of commonly consumed foods from Serbian markets. A gamma spectrometry was used to measure the activity concentrations of 226Ra, 232Th, 40K, and 137Cs. The annual whole-body doses from 137Cs and natural radionuclides, due to the consumption of tea for an adult, are in the range of 2.3– 8.5 nSv for 137Cs, 14.1 – 21.7 nSv for 232Ra, 18.4 – 73.6 nSv for 232Th and for 40K 10.4 – 22.9 nSv. These doses are not harmful to the general public’s health.
{"title":"RADIOACTIVITY ASSESSMENT OF NATURAL RADIONUCLIDES AND 137CS IN COMMONLY CONSUMED FOODS","authors":"Milena Živković, D. Nikezic, T. Miladinović, J. Stajic, D. Krstić","doi":"10.46793/iccbi21.145z","DOIUrl":"https://doi.org/10.46793/iccbi21.145z","url":null,"abstract":"The goal of this research is to determine the levels of natural and artificial radioactivity in 13 different samples of commonly consumed foods from Serbian markets. A gamma spectrometry was used to measure the activity concentrations of 226Ra, 232Th, 40K, and 137Cs. The annual whole-body doses from 137Cs and natural radionuclides, due to the consumption of tea for an adult, are in the range of 2.3– 8.5 nSv for 137Cs, 14.1 – 21.7 nSv for 232Ra, 18.4 – 73.6 nSv for 232Th and for 40K 10.4 – 22.9 nSv. These doses are not harmful to the general public’s health.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"50 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79949214","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}
Jovica Branković, V. Milovanović, Z. Petrović, V. Petrović
Gallic hydrazones, as gallic acid derivatives, are known as pharmacophores of numerous multipotent agents. Among them, antiproliferative activity is one of the most important. On the other hand, thioredoxin reductase (TrxR1) is a part of the thioredoxin system, one of the most important systems responsible for maintaining the redox equilibrium inside the cell. It is overexpressed in different forms of tumors. Bearing this in mind, TrxR1 is a valid target for the development of compounds with potential antiproliferative activity. For this purpose, eight gallic acid-based hydrazones are selected and examined in silico for their potential inhibitory activity towards TrxR1.
{"title":"GALLIC ACID HYDRAZONES: ‘IN SILICO’ INHIBITION OF THIOREDOXIN REDUCTASE","authors":"Jovica Branković, V. Milovanović, Z. Petrović, V. Petrović","doi":"10.46793/iccbi21.320b","DOIUrl":"https://doi.org/10.46793/iccbi21.320b","url":null,"abstract":"Gallic hydrazones, as gallic acid derivatives, are known as pharmacophores of numerous multipotent agents. Among them, antiproliferative activity is one of the most important. On the other hand, thioredoxin reductase (TrxR1) is a part of the thioredoxin system, one of the most important systems responsible for maintaining the redox equilibrium inside the cell. It is overexpressed in different forms of tumors. Bearing this in mind, TrxR1 is a valid target for the development of compounds with potential antiproliferative activity. For this purpose, eight gallic acid-based hydrazones are selected and examined in silico for their potential inhibitory activity towards TrxR1.","PeriodicalId":9171,"journal":{"name":"Book of Proceedings: 1st International Conference on Chemo and BioInformatics,","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89156681","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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