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    Wyświetlanie 1-11 z 11
    Tytuł:
    QSAR modeling for prediction of acute toxicity and mutagenicity in different test models by established common phytochemicals present in Phyllanthus niruri
    Autorzy:
    Dhar, Shrinjana
    Gupta, Kaushik
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1192089.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    QSAR modeling
    Common phytochemicals
    Phyllanthus niruri
    T.E.S.T. software
    Predictive toxicity and mutagenicity
    Opis:
    In globe, Pyllanthus niruri is a well-established medicinal herb studied by many researchers, grown widely in many parts of West Bengal. The present study was aimed to predict the acute toxicity as LC50 in Daphnia magna and Pimephales promelas and rat oral LD50 value as well as Ames mutagenicity by using QSAR modeling software, T.E.S.T. (Toxicity Estimation Software Tool) for commonly found phytochemicals in Pyllanthus niruri. In present works, the data were obtained for LC50, few phytochemicals were toxic to D. magna and P. promelas and also mutagenic but rat oral LD50 determined less toxic. The present QSAR modeling work is suggesting that more researches should be required through experimental as well as predictive study with other prescribed software to know the mechanisms of toxicity and mutagenicity for these combined form of phytochemicals after separating each natural chemical from extract prior to drugs development for therapeutic usage.
    Źródło:
    World Scientific News; 2016, 37; 202-219
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Predictive acute toxicity comparison in Daphnia magna for common organic chemicals present in cosmetics by using two QSAR modeling softwares
    Autorzy:
    Talapatra, Soumendra Nath
    Konar, Sarnali
    Powiązania:
    https://bibliotekanauki.pl/articles/1190143.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    QSAR modelling
    Cosmetic organic chemicals
    T.E.S.T. and ECOSAR software
    Predictive acute toxicity
    Daphnia magna
    Opis:
    Different types of organic compounds, which are used in cosmetics from decades. The usage of cosmetic products are mainly by people in office, culture, festival, recreation etc. All of these chemicals are of synthetic origin. The present study aims to predict comparative acute toxicity as LC50 (median lethal concentration) values in Daphnia magna for common types of cosmetic compounds. The predictions of LC50 values were determined by using two QSAR modeling softwares, T.E.S.T. or Toxicity Estimation Software Tool and ECOSAR (Ecological Structure Activity Relationship), for established 23 types of chemicals commonly present in cosmetics. These two softwares help to predict of LC50 values by easy screening. In present result, predictive data with statistical interpretation (R2 or correlation coefficient values) were obtained easily in T.E.S.T. but not in ECOSAR and the statistical data interpretation was not found. Among all these chemicals, it was observed that major compounds are not toxic to D. magna except few chemicals viz. ascorbyl palmitate, triclosan, methyl triclosan and triclocarbon. Further researches are suggested to compare these predicted data with other available 2-dimentional and 3-dimentional softwares and these chemicals should be studied in combinations of cosmetic chemicals with this test model in vivo because they are major food sources for fish in freshwater ecosystem.
    Źródło:
    World Scientific News; 2016, 42; 101-118
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    In silico study by using ProTox-II webserver for oral acute toxicity, organ toxicity, immunotoxicity, genetic toxicity endpoints, nuclear receptor signalling and stress response pathways of synthetic pyrethroids
    Autorzy:
    Ghosh, Subhasis
    Tripathi, Puja
    Talukdar, Partha
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1065392.pdf
    Data publikacji:
    2019
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    In silico study
    Molecular mechanism of toxicity
    Nuclear receptor signalling and stress response pathways
    Predictive toxicology
    Synthetic pyrethroids
    Opis:
    Till date, it is well-known that synthetic pyrethroids are safe to mammal but toxic to non-mammals. The present objective was an in silico study to detect oral acute toxicity, organ toxicity, immunotoxicity, genetic toxicity endpoints, nuclear receptor signalling, and stress response pathways of common synthetic pyrethroids by using ProTox-II webserver. The chemical compounds especially different synthetic pyrethroids such as pyrethrin I, Cinerin I and Jasmolin I (esters of Chrysanthemic acid), Pyrethrin-II, Cinerin II and Jasmolin II (Esters of Pyrethric acid), type I pyrethroids (esters without alpha-cyano group) such as allethrin, resmethrin, permethrin and bifenthrin and type II pyrethroids (esters with alpha-cyano group) such as fenvalerate, cyhalothrin, cypermethrin and deltamethrinwere selected from available literature. ProTox-II webserver was used for toxicological assessment in organism, organs, cell and gene level along with molecular mechanisms of toxicity. The predictive results for the toxicity of common synthetic pyrethroids compounds, Deltamethrin showed highly toxic compound among 14 compounds as fatal if swallowed as class II followed by Cypermethrin, Cyhalothrin, Bifenthrin, Resmethrin, Fenvalerate and Permethrin but hepatotoxic potential was only Deltamethrin and Fenvalerate while immunotoxic was obtained Permethrin. On the other hand, none of the compounds were obtained cytotoxic and carcinogenic but 9 compounds viz. Pyrethrin I, II Cinerin I, II, Jasmolin I, II, Allethrin, Resmethrin and Permethrin were observed mutagenic active. In case of NR signalling pathways, all compounds were inactive but eight compounds such as Pyrethrin I, II, Cinerin I, II, Jasmolin I, II, Allethrin and Resmethrin were obtained nrf2/ARE and HSE active while MMP active compounds were obtained Fenvalerate, Cyhalothrin and Deltamethrin respectively. For p53 and ATAD5 parameters, all fourteen compounds such as were obtained inactive. In conclusion, the present predictive results are suitable for academician, researchers, industries, etc. those who are making drugs and environmental chemicals. This web server helps faster screening of large numbers of compounds within short duration and no animal testing. This present in silico study easily detects toxin(s), which can be validated in future through in vitro and in vivo experimental assay.
    Źródło:
    World Scientific News; 2019, 132; 35-51
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Galls on Alstonia scholaris leaves as air pollution indicator
    Autorzy:
    Talukdar, Partha
    Das, Kaushiki
    Dhar, Shrinjana
    Talapatra, Soumendra Nath
    Swarnakar, Snehasikta
    Powiązania:
    https://bibliotekanauki.pl/articles/1189972.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Automobile air pollution
    gall formation
    bioindicator plant
    leaf morphology and anatomy
    Air Pollution Index (API)
    Alstonia scholaris
    Opis:
    Air pollution arises mainly from automobiles and industries is well known fact. Monitoring and detection by instrument cannot be possible everywhere however, indication from plant species by their alterations in leaf morphology and anatomy may be a suitable easy screening measurement. The present study aims to detect morphological features with special reference to gall quantification and anatomy of leaves of Alstonia scholaris R. Br., found in eastern Indian urban and suburban area that are exposed to vehicular emission. The results indicated alterations of leaf morphology along with length (L), breadth (B), L/B ratio and significantly increased (P < 0.001, 0.01 and 0.05) Air Pollution Index (API). It is concluded that vehicular emission can be monitored as an early indication through increased API in A. scholaris. Further research would be needed in relation to secondary metabolites alteration, biochemical and genetic parameters to know pollutant susceptibility as an indicator. In addition, anatomical abnormalities in gall formation as well as numbers were also pronounced in leaves exposed to various load of air pollution.
    Źródło:
    World Scientific News; 2016, 52; 181-194
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Dengue virus (NS2B/NS3 protease) protein engineering. Part I: An automated design for hotspots stability and site-specific mutations by using HotSpot Wizard 3.0 tool
    Autorzy:
    Lahiri, Madhumita
    Ghosh, Ipsita
    Talukdar, Partha
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1062840.pdf
    Data publikacji:
    2019
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    HotSpot Wizard
    NS2B/NS3 protease
    Non-structural protein
    computational tool
    protein engineering
    Opis:
    The non-structural dengue virus (DNV) protein, DNV-2 NS2B/NS3 protease is a combination of two proteins as 2B and 3 and these two proteins in complex replicate faster during dengue fever. The objective of the present study was to detect hot spots and design of smart libraries for engineering protein stability, substrate specificity, tunnels and cavities as well as suitable mutability position of studied protein by using an online tool, HotSpot Wizard (version 3.0). The prediction results were obtained in output interface for functional hot spots, stability hot spots (structural flexibility), correlated hot spots and stability hot spots (sequence consensus) from the sequence string. It is concluded that the prediction of pocket and mutability of this protein can easily be identified the structural alternation especially in disease diagnosis and space for ligand binding site in pocket for the potential of new drug design. Moreover, this computational prediction is suggested to compare with experimental hotspots for studied protein in relation to therapeutic efficacies, which are lacking to prevent viral infection.
    Źródło:
    World Scientific News; 2019, 127, 3; 177-190
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Computational predictive mutagenicity of similar chemicals for anthraquinone, β-sitosterol and quercetin found in Alternanthera tenella by using QSAR modeling software
    Autorzy:
    Haque, Mahmudul
    Bhakat, Ram Kumar
    Bhattacharjee, Aloke
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1182926.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Allelopathy; Allelochemicals; Alternanthera tenella; Invasive species; Terrestrial ecosystem; Predictive Ames mutagenicity; QSAR modeling; T.E.S.T. software
    Opis:
    The present study aims to evaluate the mutagenic potential of secondary metabolites viz. anthraquinone, β-sitosterol and quercetin present in Alternanthera tenella and their related analogus compounds similar in their molecular structure. Nine similar putative allelochemicals analogus to each of anthraquninone, β-sitosterol and quercetin respectively were selected, a total of twenty seven similar chemicals were studied for mutagenicity prediction. Ames mutagenicity prediction was carried out by using T.E.S.T. (Toxicity Estimation Software Tool) of USEPA. All experimental metadata were obtained from Toxicity Benchmark and T.E.S.T. The results clearly indicated that the allelochemicals, anthraquinone and its related eight compounds were mutagenic positive except benzanthrone (mutagenic negative) but all experimental data were found mutagenic positive. β-sitosterol showed mutagenic negative in both experimental and predicted value. It’s three related compounds were mutagenic positive but rest six related compounds mutagenic negative in predicted value while in experimental data, seven compounds were found mutagenic positive and rest two mutagenic negative. In case of quercetin, both data were obtained mutagenic positive while in related compounds, seven compounds were found to be mutagenic positive and two compounds mutagenic negative in predicted value. All were found to be mutagenic positive in experimental metadata. Such findings poses a curiosity that are there any possibilities of conversion or substitution in the position of aromatic ring of allelochemicals when present in soil? Because allelopathy depends upon several environmental stressors and mutagenicity may be induced by allelochemicals. It is suggesting for future research to detect metabolic pathway and mechanism of allelochemicals formation in A. tenella in presence of toxins in soil and to validate with other available 2D and 3D softwares.
    Źródło:
    World Scientific News; 2016, 49, 2; 162-191
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    CellProfiler and WEKA Tools: Image Analysis for Fish Erythrocytes Shape and Machine Learning Model Algorithm Accuracy Prediction of Dataset
    Autorzy:
    Talapatra, Soumendra Nath
    Chaudhuri, Rupa
    Ghosh, Subhasis
    Powiązania:
    https://bibliotekanauki.pl/articles/1193348.pdf
    Data publikacji:
    2021
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Automatic image analysis
    CellProfiler tool
    Fish erythrocytes quantification
    Machine learning algorithm
    Model classifier accuracy
    Shapes measurement
    WEKA tool
    Opis:
    The first part of the study was detected the number of cells and measurement of shape of cells, cytoplasm, and nuclei in an image of Giemsa-stained of fish peripheral erythrocytes by using CellProfiler (CP, version 2.1.0) tool, an image analysis tool. In the second part, it was evaluated machine learning (ML) algorithm models viz. BayesNet (BN), NaiveBayes (NB), logistic regression (LR), Lazy.KStar (K*), decision tree (DT) J48, Random forest (RF) and Random tree (RT) in the WEKA tool (version 3.8.5) for the prediction of the accuracy of the dataset generated from an image. The CP predicts the numbers and individual cellular area shape (arbitrary unit) of cells, cytoplasm, and nuclei as primary, secondary, and tertiary object data in an image. The performance of model accuracy of studied ML algorithm classifications as per correctly and incorrectly classified instances, the highest values were observed in RF and RT followed by K*, LR, BN and DTJ48 and lowest in NB as per training and testing set of correctly classified instances. In case of performance accuracy of class for K value, the highest values were observed in RF and RT followed by K*, LR, BN and DTJ48 and lowest in NB while lowest values were obtained for mean absolute error (MAE) and root mean squared error (RMSE) in case of RT followed by RF, K*, LR, BN and DTJ48 and comparatively highest value in case of NB as per training and testing set. In conclusion, both tools performed well as an image to the dataset and obtained dataset to rich information through ML modelling and future study in WEKA tool can easily be analysed many biological big data to predict classifier accuracy.
    Źródło:
    World Scientific News; 2021, 154; 101-116
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Cell Profiler software: An easy screening tool for DNA damage estimation in fish erythrocytes from comet assay image
    Autorzy:
    Palit, Amitra
    Talukdar, Partha
    Gupta, Kaushik
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1192589.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Peripheral fish erythrocytes
    Comet image analysis
    DNA damages scoring
    Comet morphology measurement
    Image analysis software
    CellProfiler software
    Opis:
    DNA fragmentation by single strand breaks (SSBs) or double strand breaks (DSBs) is major concern in genotoxicity research. DNA damages can be easily known through comet assay or single cell gel electrophoresis (SCGE). Since decades, scoring through software for DNA damages in images have been developed by researchers. These softwares depend upon manual scoring on individual comet in a particular interface. The evaluation under software may have biasness and error during scoring by each researcher and few softwares are unable to access easily because many of these are commercial products. However, CellProfiler (CP) image analysis software (Version 2.1.0) is free, easy operation, faster and automated screening by computer itself. An attempt was made to detect DNA damages mainly comet scoring through CP software as whole comet, comet head and comet tail from image of previously studied single cell gel electrophoresis (SCGE) in the peripheral erythrocytes of fish exposed to benzene as experimental image. The results particularly on length and area of whole comet, head and tail were obtained after automated analysis in the CP software. The image processing study was done of the objects present in fluorescence microscopy image to know maximum DNA damage at each cell level for the fish erythrocytes. It was concluded that the present study of image based screening for DNA damages as details of comet and its head and tail evaluation by shape and area in the fish erythrocytes can be a suitable tool for genotoxicity prediction along with risk assessment at DNA level. The shape descriptor as Zernike moments order 0 to 9 can also be suitable parameters to know accuracy of the shape of comet and its head and tail in the image. Finally, high-throughput automated screening of comet test can help in disease diagnosis and repair mechanisms as well as environmental monitoring of genotoxin(s) within short period of time.
    Źródło:
    World Scientific News; 2016, 55; 1-14
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Bioavailability prediction of phytochemicals present in Calotropis procera (Aiton) R. Br. by using Swiss-ADME tool
    Autorzy:
    Tripathi, Puja
    Ghosh, Subhasis
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1066215.pdf
    Data publikacji:
    2019
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Bioavailability
    Calotropis procera
    Drug-likeness
    Medicinal chemistry
    Pharmacokinetics
    Phytocompounds
    Synthetic compounds
    Opis:
    The medicinal plant, Calotropis procera (Aiton) R. Br. is a common shrub and this plant has several phytochemicals that act as analgesic and anti-inflammatory agents. The aim of the present study was to detect bioavailability potential through absorption, distribution, metabolism and excretion (ADME) of phytocompounds established in C. procera plant parts. In silico study, especially pharmacokinetics, bioavailability, drug-likeness and medicinal chemistry friendliness prediction was performed by using the SwissADME online tool to know the lead phytocompound for the drug candidate for the prevention of pain and inflammation. The common established eleven phytocompounds such as Methyl myrisate, Methyl behenate, Anthocyanin, Uzarigenin, Lupeol, β-amyrin, α-amyrin, Uscharin, Calotropin, β-sitosterol and Quercetin-3-rutinoside as well as 2 synthetic anti-inflammatory medicines were selected for the present computational prediction. The predictions of pharmacokinetics, bioavailability, drug-likeness and medicinal chemistry friendliness obtained a suitable phytocompound Uzarigenin of C. procera, which showed resemblance with several parameters of Ibuprofen and the synthetic drug Ibuprofen is well-established analgesic and anti-inflammatory agent. In conclusion, the small molecule, Uzarigenin can be suitable drug candidate. Further study should be done by in vitro and in vivo assay for toxicology, pharmacology and experimental bioavailability for pain and inflammation reliving phytomedicine to confirm the present predictions.
    Źródło:
    World Scientific News; 2019, 131; 147-163
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    An overview of lectins from freshwater and marine macroinvertebrates
    Autorzy:
    Datta, Debjani
    Talapatra, Soumendra Nath
    Swarnakar, Snehasikta
    Powiązania:
    https://bibliotekanauki.pl/articles/1192685.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Bioresources
    freshwater species
    marine invertebrates
    medicinal importance
    drug development
    natural therapeutic agents
    Opis:
    Lectins are one of several types of biological resources considered as potential medicinal importance for therapeutic agents. The present review deals with variety, sugar specificity and the medicinal importance of lectins from freshwater and marine invertebrates. The potent medicinal usage of the various types of the lectins from freshwater and marine non-chordates, which are comparatively well studied and compiled. Various literatures survey revealed that the lectin isolated in recent past from the freshwater species majorly from mollusca and arthropods (crustacean) etc. and also from marine sources of phylum porifera, cnidaria, annelida, arthropoda, mollusca and echinodermata could be rich sources of medicinal properties having remedial measures to bacterial infection, inflammatory disorders, cancer, mitogenic effect and antigen defence. The present study will be a database development to support global drug discovery researches on several types of lectins from freshwater and marine organisms for academicians, researchers and medicine manufacturers having therapeutic approaches for mankind by natural ingredients.
    Źródło:
    World Scientific News; 2016, 46; 77-87
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    A digitized database of bark morphology for identification of common tree species and literature study of bark phytochemicals and therapeutic usage
    Autorzy:
    Biswas, Shilpa
    Gupta, Kaushik
    Talapatra, Soumendra Nath
    Powiązania:
    https://bibliotekanauki.pl/articles/1190149.pdf
    Data publikacji:
    2016
    Wydawca:
    Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
    Tematy:
    Bark morphology
    Bark images database
    Phytochemicals in bark
    Common tree species
    Terrestrial ecosystem
    Opis:
    Bark is used for several therapeutic purposes by traditional knowledge from ancient time. The present study was attempted to digitize the bark morphology by image based database for common tree species and compilation of recent research works by literature survey to know potent phyto- constituents present in the bark of tree species and their ability in disease prevention. In conclusion, present study of digital database on bark morphology may help easy detection of common tree species in biodiversity research work. In the present study, also the compilation of bark phytochemicals and their therapeutic efficiencies may also serve a databank as ready references in future pharmacological researches.
    Źródło:
    World Scientific News; 2016, 42; 143-155
    2392-2192
    Pojawia się w:
    World Scientific News
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-11 z 11

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