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  1. Article ; Online: Innovative Preparation of Cellulose-Mediated Silver Nanoparticles for Multipurpose Applications: Experiment and Molecular Docking Studies.

    Visagamani, Arularasu M / Shanthi, Durairaj / Muthukrishnaraj, Appusamy / Venkatadri, Babu / Ahamed, J Irshad / Kaviyarasu, Kasinathan

    ACS omega

    2023  Volume 8, Issue 42, Page(s) 38860–38870

    Abstract: In recent years, inorganic metal nanoparticle fabrication by extraction of a different part of the plant has been gaining more importance. In this research, cellulose-mediated Ag nanoparticles (cellulose/Ag NPs) with excellent antibacterial and ... ...

    Abstract In recent years, inorganic metal nanoparticle fabrication by extraction of a different part of the plant has been gaining more importance. In this research, cellulose-mediated Ag nanoparticles (cellulose/Ag NPs) with excellent antibacterial and antioxidant properties and photocatalytic activity have been synthesized by the microwave-assisted hydrothermal method. This method is a green, simple, and low-cost method that does not use any other capping or reducing agents. X-ray diffraction (XRD), Fourier transform infrared (FTIR), field emission scanning microscopy (FESEM), transmission electron microscopy (TEM), energy-dispersive X-ray (EDX), and UV-visible spectroscopic techniques were used to investigate the structure, morphology, as well as components of the generated cellulose/Ag NPs. In fact, XRD results confirm the formation of the face-centered cubic phase of Ag nanoparticles, while the FTIR spectra showed that the synergy of carbohydrates and proteins is responsible for the formation of cellulose/Ag NPs by the green method. It was found that the green-synthesized silver nanoparticles showed good crystallinity and a size range of about 20-30 nm. The morphology results showed that cellulose has a cavity-like structure and the green-synthesized Ag NPs were dispersed throughout the cellulose polymer matrix. In comparison to cellulose/Ag NPs and Ag nanoparticles, cellulose/Ag NPs demonstrated excellent antibacterial activity,
    Language English
    Publishing date 2023-10-10
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c02432
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study.

    Rameshkumar, Marimuthu Ragavan / Indu, Purushothaman / Arunagirinathan, Narasingam / Venkatadri, Babu / El-Serehy, Hamed A / Ahmad, Ajaz

    Saudi journal of biological sciences

    2020  Volume 28, Issue 1, Page(s) 448–458

    Abstract: An outbreak of Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has been recognized as a global health concern. Since, no specific antiviral drug is proven effective for treatment against COVID-19, identification of new therapeutics is an urgent ... ...

    Abstract An outbreak of Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has been recognized as a global health concern. Since, no specific antiviral drug is proven effective for treatment against COVID-19, identification of new therapeutics is an urgent need. In this study, flavonoid compounds were analyzed for its inhibitory potential against important protein targets of SARS-CoV-2 using computational approaches. Virtual docking was performed for screening of flavonoid compounds retrieved from PubChem against the main protease of SARS-CoV-2 using COVID-19 docking server. The cut off of dock score was set to >-9 kcal/mol and screened compounds were individually docked against main protease, RNA-dependent RNA polymerase, and spike proteins using AutoDock 4.1 software. Finally, lead flavonoid compounds were subjected to ADMET analysis. A total of 458 flavonoid compounds were virtually screened against main protease target and 36 compounds were selected based on the interaction energy value >-9 kcal/mol. Furthermore, these compounds were individually docked against protein targets and top 10 lead compounds were identified. Among the lead compounds, agathisflavone showed highest binding energy value of -8.4 kcal/mol against main protease, Albireodelphin showed highest dock score of -9.8 kcal/mol and -11.2 kcal/mol against RdRp, and spike proteins, respectively. Based on the high dock score and ADMET properties, top 5 lead molecules such as Albireodelphin, Apigenin 7-(6″-malonylglucoside), Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside, Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) and (-)-Maackiain-3-O-glucosyl-6″-O-malonate were identified as potent inhibitors against main protease, RdRp, and spike protein targets of SARS-CoV-2. These all compounds are having non-carcinogenic and non-mutagenic properties. This study finding suggests that the screened compounds include Albireodelphin, Apigenin 7-(6″-malonylglucoside), Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside, Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) and (-)-Maackiain-3-O-glucosyl-6″-O-malonate could be the potent inhibitors of SARS-CoV-2 targets.
    Keywords covid19
    Language English
    Publishing date 2020-10-22
    Publishing country Saudi Arabia
    Document type Journal Article
    ZDB-ID 2515206-3
    ISSN 2213-7106 ; 1319-562X
    ISSN (online) 2213-7106
    ISSN 1319-562X
    DOI 10.1016/j.sjbs.2020.10.028
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins

    Rameshkumar, Marimuthu Ragavan / Indu, Purushothaman / Arunagirinathan, Narasingam / Venkatadri, Babu / El-Serehy, Hamed A. / Ahmad, Ajaz

    Saudi Journal of Biological Sciences ; ISSN 1319-562X

    A molecular docking study

    2020  

    Keywords General Agricultural and Biological Sciences ; covid19
    Language English
    Publisher Elsevier BV
    Publishing country us
    Document type Article ; Online
    DOI 10.1016/j.sjbs.2020.10.028
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article: Computational selection of flavonoid compounds as inhibitors against SARS-CoV-2 main protease, RNA-dependent RNA polymerase and spike proteins: A molecular docking study

    Ragavan Rameshkumar, Marimuthu / Indu, Purushothaman / Arunagirinathan, Narasingam / Venkatadri, Babu / El-Serehy, Hamed A / Ahmad, Ajaz

    Abstract: An outbreak of Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has been recognized as a global health concern. Since, no specific antiviral drug is proven effective for treatment against COVID-19, identification of new therapeutics is an urgent ... ...

    Abstract An outbreak of Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 has been recognized as a global health concern. Since, no specific antiviral drug is proven effective for treatment against COVID-19, identification of new therapeutics is an urgent need. In this study, flavonoid compounds were analyzed for its inhibitory potential against important protein targets of SARS-CoV-2 using computational approaches. Virtual docking was performed for screening of flavonoid compounds retrieved from PubChem against the main protease of SARS-CoV-2 using COVID-19 docking server. The cut off of dock score was set to >-9kcal/mol and screened compounds were individually docked against main protease, RNA-dependent RNA polymerase, and spike proteins using AutoDock 4.1 software. Finally, lead flavonoid compounds were subjected to ADMET analysis. A total of 458 flavonoid compounds were virtually screened against main protease target and 36 compounds were selected based on the interaction energy value >-9kcal/mol. Furthermore, these compounds were individually docked against protein targets and top 10 lead compounds were identified. Among the lead compounds, agathisflavone showed highest binding energy value of -8.4 kcal/mol against main protease, Albireodelphin showed highest dock score of -9.8 kcal/mol and -11.2 kcal/mol against RdRp, and spike proteins, respectively. Based on the high dock score and ADMET properties, top 5 lead molecules such as Albireodelphin, Apigenin 7-(6''-malonylglucoside), Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside, Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) and (-)-Maackiain-3-O-glucosyl-6''-O-malonate were identified as potent inhibitors against main protease, RdRp, and spike protein targets of SARS-CoV-2. These all compounds are having non-carcinogenic and non-mutagenic properties.This study finding suggests that the screened compounds include Albireodelphin, Apigenin 7-(6''-malonylglucoside), Cyanidin-3-(p-coumaroyl)-rutinoside-5-glucoside, Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) and (-)-Maackiain-3-O-glucosyl-6''-O-malonate could be the potent inhibitors of SARS-CoV-2 targets.
    Keywords covid19
    Publisher WHO
    Document type Article
    Note WHO #Covidence: #894218
    Database COVID19

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  5. Article ; Online: Chemical analysis of Punica granatum fruit peel and its in vitro and in vivo biological properties.

    Barathikannan, Kaliyan / Venkatadri, Babu / Khusro, Ameer / Al-Dhabi, Naif Abdullah / Agastian, Paul / Arasu, Mariadhas Valan / Choi, Han Sung / Kim, Young Ock

    BMC complementary and alternative medicine

    2016  Volume 16, Page(s) 264

    Abstract: Background: The medical application of pomegranate fruits and its peel is attracted human beings. The aim of the present study was to evaluate the in vitro α-Glucosidase inhibition, antimicrobial, antioxidant property and in vivo anti-hyperglycemic ... ...

    Abstract Background: The medical application of pomegranate fruits and its peel is attracted human beings. The aim of the present study was to evaluate the in vitro α-Glucosidase inhibition, antimicrobial, antioxidant property and in vivo anti-hyperglycemic activity of Punica granatum (pomegranate) fruit peel extract using Caenorhabditis elegans.
    Methods: Various invitro antioxidant activity of fruit peel extracts was determined by standard protocol. Antibacterial and antifungal activities were determined using disc diffusion and microdilution method respectively. Anti-hyperglycemic activity of fruit peel was observed using fluorescence microscope for in vivo study.
    Results: The ethyl acetate extract of P. granatum fruit peel (PGPEa) showed α-Glucosidase inhibition upto 50 % at the concentration of IC50 285.21 ± 1.9 μg/ml compared to hexane and methanol extracts. The total phenolic content was highest (218.152 ± 1.73 mg of catechol equivalents/g) in ethyl acetate extract. PGPEa showed more scavenging activity on 2,2-diphenyl-picrylhydrazyl (DPPH) with IC50 value 302.43 ± 1.9 μg/ml and total antioxidant activity with IC50 294.35 ± 1.68 μg/ml. PGPEa also showed a significant effecton lipid peroxidation IC50 208.62 ± 1.68 μg/ml, as well as high reducing power. Among the solvents extracts tested, ethyl acetate extract of fruit peel showed broad spectrum of antimicrobial activity. Ethyl acetate extract supplemented C.elegans worms showed inhibition of lipid accumulation similar to acarbose indicating good hypoglycemic activity. The normal worms compared to test (ethyl acetate extract supplemented) showed the highest hypoglycaemic activity by increasing the lifespan of the worms. GC-MS analysis of PGPEa showed maximum amount of 5-hydroxymethylfurfural and 4-fluorobenzyl alcohol (48.59 %).
    Conclusion: In the present investigation we observed various biological properties of pomegranate fruit peel. The results clearly indicated that pomegranate peel extract could be used in preventing the incidence of long term complication of diabetics.
    MeSH term(s) Animals ; Anti-Infective Agents/chemistry ; Anti-Infective Agents/pharmacology ; Antioxidants/chemistry ; Antioxidants/pharmacology ; Bacteria/drug effects ; Caenorhabditis elegans/chemistry ; Caenorhabditis elegans/drug effects ; Caenorhabditis elegans/metabolism ; Fruit/chemistry ; Fungi/drug effects ; Lipid Metabolism/drug effects ; Plant Extracts/chemistry ; Plant Extracts/pharmacology ; Punicaceae/chemistry
    Chemical Substances Anti-Infective Agents ; Antioxidants ; Plant Extracts
    Language English
    Publishing date 2016-07-30
    Publishing country England
    Document type Journal Article
    ZDB-ID 2050429-9
    ISSN 1472-6882 ; 1472-6882
    ISSN (online) 1472-6882
    ISSN 1472-6882
    DOI 10.1186/s12906-016-1237-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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