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  1. AU="G. B. N. Chainy"
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  1. Article ; Online: Author Correction

    Atala B. Jena / Namrata Kanungo / Vinayak Nayak / G. B. N. Chainy / Jagneshwar Dandapat

    Scientific Reports, Vol 11, Iss 1, Pp 1-

    Catechin and curcumin interact with S protein of SARS-CoV2 and ACE2 of human cell membrane: insights from computational studies

    2021  Volume 1

    Abstract: An amendment to this paper has been published and can be accessed via a link at the top of the paper. ...

    Abstract An amendment to this paper has been published and can be accessed via a link at the top of the paper.
    Keywords Medicine ; R ; Science ; Q
    Language English
    Publishing date 2021-04-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Catechin and curcumin interact with S protein of SARS-CoV2 and ACE2 of human cell membrane

    Atala B. Jena / Namrata Kanungo / Vinayak Nayak / G. B. N. Chainy / Jagneshwar Dandapat

    Scientific Reports, Vol 11, Iss 1, Pp 1-

    insights from computational studies

    2021  Volume 14

    Abstract: Abstract The recent outbreak of the coronavirus (SARS-CoV2) is an unprecedented threat to human health and society across the globe. In this context, development of suitable interventions is the need of the hour. The viral spike protein (S Protein) and ... ...

    Abstract Abstract The recent outbreak of the coronavirus (SARS-CoV2) is an unprecedented threat to human health and society across the globe. In this context, development of suitable interventions is the need of the hour. The viral spike protein (S Protein) and the cognate host cell receptor ACE2 can be considered as effective and appropriate targets for interventions. It is evident from the present computational study, that catechin and curcumin, not only exhibit strong binding affinity to viral S Protein and host receptor ACE2 but also to their complex (receptor-binding domain (RBD) of the spike protein of SARS-CoV2 and ACE2; RBD/ACE2-complex). The binding affinity values of catechin and curcumin for the S protein, ACE2 and RBD/ACE2-complex are − 10.5 and − 7.9 kcal/mol; − 8.9 and − 7.8 kcal/mol; and − 9.1 and − 7.6 kcal/mol, respectively. Curcumin directly binds to the receptor binding domain (RBD) of viral S Protein. Molecular simulation study over a period of 100 ns further substantiates that such interaction within RBD site of S Protein occurs during 40–100 ns out of 100 ns simulation trajectory. Contrary to this, catechin binds with amino acid residues present near the RBD site of S Protein and causes fluctuation in the amino acid residues of the RBD and its near proximity. Both catechin and curcumin bind the interface of ‘RBD/ACE2-complex’ and intervene in causing fluctuation of the alpha helices and beta-strands of the protein complex. Protein–protein interaction studies in presence of curcumin or catechin also corroborate the above findings suggesting the efficacy of these two polyphenols in hindering the formation of S Protein-ACE2 complex. In conclusion, this computational study for the first time predicts the possibility of above two polyphenols for therapeutic strategy against SARS-CoV2.
    Keywords Medicine ; R ; Science ; Q
    Subject code 612
    Language English
    Publishing date 2021-01-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

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    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  3. Article: Curcumin restores hepatic epigenetic changes in propylthiouracil(PTU)Induced hypothyroid male rats: A study on DNMTs, MBDs, GADD45a, C/EBP-β and PCNA

    Bunker, Suresh Kumar / Abinash Dutta / Jyotsnarani Pradhan / Jagneshwar Dandapat / G.B.N. Chainy

    Food and chemical toxicology. 2019 Jan., v. 123

    2019  

    Abstract: 6-n-propyl-2-thiouracil (PTU), a thioamide drug, is used as an effective anti-thyroid agent to treat hyperthyroidism and Graves’ disease. However, acute liver oxidative damage is an important side effect of the drug. In the present study, we report that ... ...

    Abstract 6-n-propyl-2-thiouracil (PTU), a thioamide drug, is used as an effective anti-thyroid agent to treat hyperthyroidism and Graves’ disease. However, acute liver oxidative damage is an important side effect of the drug. In the present study, we report that PTU administration to rat induces hepatic epigenetic changes by upregulating expression of DNMT1, DNMT3a, DNMT3b, MBD4, MeCP2, p53 and Gadd45a and down-regulation of PCNA and C/EBP-β. This is accompanied by decrease in the cell population and augmentation of cellular lipid peroxidation, an index of oxidative stress, in liver. On the other hand, co-administration of curcumin, a polyphenol extract from the rhizome of Curcuma longa L, along with PTU ameliorates PTU- induced oxidative stress and epigenetic parameters except for the expression of MBD4. Also, co-administration of curcumin with PTU resulted in restoration of hepatic cell population and histoarchitecture. The protective effect of curcumin to PTU-induced hepatotoxicity is attributed to its antioxidative properties.
    Keywords Curcuma longa ; antioxidant activity ; curcumin ; drugs ; epigenetics ; gene expression regulation ; hepatotoxicity ; hyperthyroidism ; lipid peroxidation ; liver ; males ; oxidative stress ; polyphenols ; proliferating cell nuclear antigen ; propylthiouracil ; protective effect ; rats ; rhizomes
    Language English
    Dates of publication 2019-01
    Size p. 169-180.
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 782617-5
    ISSN 1873-6351 ; 0278-6915
    ISSN (online) 1873-6351
    ISSN 0278-6915
    DOI 10.1016/j.fct.2018.10.050
    Database NAL-Catalogue (AGRICOLA)

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  4. Article: Effects of temperature on complexes I and II mediated respiration, ROS generation and oxidative stress status in isolated gill mitochondria of the mud crab Scylla serrata

    Paital, Biswaranjan / G.B.N. Chainy

    Journal of Thermal Biology. 2014 Apr., v. 41

    2014  

    Abstract: Effects of fluctuations in habitat temperature (18–30°) on mitochondrial respiratory behavior and oxidative metabolic responses in the euryhaline ectotherm Scylla serrata are not fully understood. In the present study, effects of different ... ...

    Abstract Effects of fluctuations in habitat temperature (18–30°) on mitochondrial respiratory behavior and oxidative metabolic responses in the euryhaline ectotherm Scylla serrata are not fully understood. In the present study, effects of different temperatures ranging from 12 to 40°C on glutamate and succinate mediated mitochondrial respiration, respiratory control ratio (RCR), ATP generation rate, ratio for the utilization of phosphate molecules per atomic oxygen consumption (P/O), levels of lipid peroxidation and H2O2 in isolated gill mitochondria of S. serrata are reported. The pattern of variation in the studied parameters was similar for the two substrates at different temperatures. The values recorded for RCR (≥3) and P/O ratio (1.4–2.7) at the temperature range of 15–25°C were within the normal range reported for other animals (3–10 for RCR and 1.5–3 for P/O). Values for P/O ratio, ATP generation rate and RCR were highest at 18°C when compared to the other assay temperatures. However, at low and high extreme temperatures, i.e. at 12 and 40°C, states III and IV respiration rates were not clearly distinguishable from each other indicating that mitochondria were completely uncoupled. Positive correlations were noticed between temperature and the levels of both lipid peroxidation and H2O2. It is inferred that fluctuations on either side of ambient habitat temperature may adversely influence mitochondrial respiration and oxidative metabolism in S. serrata. The results provide baseline data to understand the impacts of acute changes in temperature on ectotherms inhabiting estuarine or marine environments.
    Keywords Scylla serrata ; adenosine triphosphate ; aerobiosis ; crabs ; estuaries ; euryhaline species ; glutamic acid ; habitats ; hydrogen peroxide ; lipid peroxidation ; mitochondria ; oxidative stress ; oxygen consumption ; phosphates ; respiratory rate ; succinic acid ; temperature
    Language English
    Dates of publication 2014-04
    Size p. 104-111.
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 1498364-3
    ISSN 1879-0992 ; 0306-4565
    ISSN (online) 1879-0992
    ISSN 0306-4565
    DOI 10.1016/j.jtherbio.2014.02.013
    Database NAL-Catalogue (AGRICOLA)

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