02207nas a2200229 4500008004100000022001400041245020100055210006900256260005700325300001400382490000800396520130300404653001201707653002001719653002601739653001301765100001901778700001901797700001701816700001901833856012501852 2014 eng d a0932-011300aAntiplasmodial activity-aided isolation and identification of quercetin-4 `-methyl ether in chromolaena odorata leaf fraction with high activity against chloroquine-resistant plasmodium falciparum0 aAntiplasmodial activityaided isolation and identification of que a233 SPRING ST, NEW YORK, NY 10013 USAbSPRINGERcDEC a4415-44220 v1133 a

The present study was undertaken to evaluate the antiplasmodial activity of Chromolaena odorata leaf extract and gradient fractions through in vivo and in vitro tests, aimed at identifying its antiplasmodial constituents. Sub-fractions obtained from the most active gradient fraction were further tested for cytotoxicity against THP-1 cells, chloroquine-sensitive (HB3) and chloroquine-resistant (FCM29) Plasmodium falciparum. Our results showed the dichloromethane gradient fraction was most effective, significantly (P<0.05) suppressing infection by 99.46 % at 100 mg/kg body weight. Amongst its 13 sub-fractions (DF1-DF13), DF11 was highly active, with IC50 of 4.8 and 6.74 mu g/ml against P. falciparum HB3 and FCM29, respectively. Cytotoxicity of DF11 was estimated to be above 50 mu g/ml, and its separation by column chromatography yielded a flavonoid which was characterized as 3, 5, 7, 3' tetrahydroxy-4'-methoxyflavone from its spectroscopic data. It significantly suppressed infection (65.43-81.48 %) in mice at 2.5-5 mg/kg doses and compared favourably with the effects of chloroquine and artemisinin. It may therefore serve as a useful phytochemical and antiplasmodial activity marker of C. odorata leaves, which exhibit potential for development as medicine against malaria.

10amalaria10aMedicinal plant10aPlasmodium falciparum10aToxicity1 aEzenyi, I., C.1 aSalawu, O., A.1 aKulkarni, R.1 aEmeje, Martins uhttps://library.ncl.res.in/content/antiplasmodial-activity-aided-isolation-and-identification-quercetin-4-methyl-ether-002563nas a2200265 4500008004100000022001400041245013200055210006900187260000900256300001000265490000700275520167700282653001801959653001501977653002201992653002702014653001302041100002202054700002102076700001602097700002402113700001702137700002202154856012102176 2015 eng d a0920-506300aFluorescent cadmium telluride quantum dots embedded chitosan nanoparticles: a stable, biocompatible preparation for bio-imaging0 aFluorescent cadmium telluride quantum dots embedded chitosan nan cJAN  a42-560 v263 a

Fluorescent cadmium telluride quantum dots (CdTe QDs) are an optically attractive option for bioimaging, but are known to display high cytotoxicity. Nanoparticles synthesized from chitosan, a natural biopolymer of beta 1-4 linked glucosamine, display good biocompatibility and cellular uptake. A facile, green synthetic strategy has been developed to embed green fluorescent cadmium telluride quantum dots (CdTe QDs) in biocompatible CNPs to obtain a safer preparation than `as is' QDs. High-resolution transmission electron microscopy showed the crystal lattice corresponding to CdTe QDs embedded in CNPs while thermogravimetry confirmed their polymeric composition. Electrostatic interactions between thiol-capped QDs (4nm, -57mV) and CNPs (\~300nm, +38mV) generated CdTe QDs-embedded CNPs that were stable up to three months. Further, viability of NIH3T3 mouse fibroblast cells in vitro increased in presence of QDs-embedded CNPs as compared to bare QDs. At the highest concentration (10 mu g/ml), the former shows 34 and 39% increase in viability at 24 and 48h, respectively, as compared to the latter. This shows that chitosan nanoparticles do not release the QDs up to 48h and do not cause extended toxicity. Furthermore, hydrolytic enzymes such as lysozyme and chitinase did not degrade chitosan nanoparticles. Moreover, QDs-embedded CNPs show enhanced internalization in NIH3T3 cells as compared to bare QDs. This method offers ease of synthesis and handling of stable, luminescent, biocompatible CdTe QDs-embedded CNPs with a favorable toxicity profile and better cellular uptake with potential for bioimaging and targeted detection of cellular components.

10aBiocompatible10abioimaging10aCdTe quantum dots10achitosan nanoparticles10aToxicity1 aGhormade, Vandana1 aGholap, Haribhau1 aKale, Sonia1 aKulkarni, Vaishnavi1 aBhat, Suresh1 aPaknikar, Kishore uhttps://library.ncl.res.in/content/fluorescent-cadmium-telluride-quantum-dots-embedded-chitosan-nanoparticles-stable02677nas a2200265 4500008004100000022001400041245016300055210006900218260000800287300001400295490000700309520173600316653000902052653002502061653001202086653001902098653001302117653002202130100002402152700002802176700002202204700002102226700003402247856013002281 2021 eng d a0739-110200aPharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors0 aPharmacore maping based on docking ADMEtoxicity virtual screenin cJAN a4490-45000 v393 a

Plants produced natural generating products play a significant role in drug discovery of new bioactive compounds and these are used for advancement of innovative curative drugs for specific target health diseases. In this study Docking and ADME/T virtual screening method are apply for in drug discovery and can be divided into ligand- and target structure-based. The aim of this study was to analyze theDecalepis hamiltoniiisolated compounds by using the evaluation of molecular docking and virtual screening of anticancer drugs. MOE docking ADME/Toxicity and virtual screening approaches. A docking energy -12.97 kcal/mol; -9.93- kcal/mol on cancer responsible protein was targeted. Further, the compounds were filtered through the rule of five, ADME/Toxicity risk and synthetic accessibility. The active compound were then docked to recognize the possible target binding pocket to obtain a set of a ligand poses and to prioritize the predicted active compounds. The scrutinize compounds, as well as their metabolites were evaluated for different pharmacokinetics parameter such as ADME/Toxicity. Therefore, the result shows that a large number of compounds were found to be ADME/toxicity positive to be a positive drug molecule against cancer, selected compounds under study satisfies parameters for ADME and Toxicity properties. The present study demonstrate to identifying the novel structures which are having similar structural feature with like activity with respect to the compounds 3,5-Dimethyl-1,3,4-Hexanetriol and Dodecanoic acid that are shown best binding energy with the receptors 4igk and 4b3z respectively. This study may provide significant clues for discovery novel drug inhibitors for cancer properties.

10aADME10aDecalepis hamiltonii10adocking10adrug discovery10aToxicity10avirtual screening1 aPrakash, Palanisamy1 aVijayasarathi, Durairaj1 aSelvam, Kuppusamy1 aKarthi, Sengodan1 aManivasagaperumal, Rengarajan uhttps://library.ncl.res.in/content/pharmacore-maping-based-docking-admetoxicity-virtual-screening-35-dimethyl-134-hexanetriol04223nas a2200277 4500008004100000022001400041245011700055210006900172260000800241300000700249490000700256520327800263653002603541653002303567653002603590653002103616653001303637100002103650700002303671700002203694700002603716700002403742700002403766700002803790856012703818 2023 eng d a1868-695800aGreen adeptness in synthesis of non-toxic copper and cobalt oxide nanocomposites with multifaceted bioactivities0 aGreen adeptness in synthesis of nontoxic copper and cobalt oxide cDEC a790 v143 a

Background: In the present era, we are facing different health problems mainly concerning with drug resistance in microorganisms as well as in cancer cells. In addition, we are also facing the problems of controlling oxidative stress and insect originated diseases like dengue, malaria, chikungunya, etc. originated from mosquitoes. In this investigation, we unfurled the potential of Achatina fulica mucus in green synthesis of mucus mediated copper oxide bio-nanocomposites (SM-CuONC) and cobalt oxide bio-nanocomposites (SM-Co3O4NC). Herein we carried out the physico-chemical characterization like UV-Vis spectra, X-ray diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM), Transmission electron microscopy (TEM), Energy Dispersive X-ray Analysis (EDAX) and X-ray photoelectron spectroscopy (XPS) of as synthesized bio-nanocomposites. Both the bio-nanocomposites were tested for their potential as antimicrobial activity using well diffusion assay, anticancer activity by MTT assay, antioxidant activity by phosphomolybdenum assay and mosquito larvicidal activity.Results: The results of this study revealed that, SM-CuONC and SM-Co3O4NC were synthesized successfully using A. fulica mucus. The FESEM and TEM data reveal the formation of nanoparticles with quasi-spherical morphology and average particle size of similar to 18 nm for both nanocomposites. The EDAX peak confirms the presence of elemental copper and cobalt in the analyzed samples. The X-ray diffraction analysis confirmed the crystalline nature of the CuO and Co3O4. The result of anti microbial study exhibited that, SM-CuONC showed maximum antimicrobial activity against Escherichia coli NCIM 2065 and Aspergillus fumigatus NCIM 902 which were noted as 2.36 +/- 0.31 and 2.36 +/- 0.59 cm resp. at 60 mu g/well concentration. The result of anticancer activity for SM-CuONC was exhibited as, 68.66 +/- 3.72, 62.66 +/- 3.61 and 71.00 +/- 2.36 percent kill, while SM-Co3O4NC exhibited 61.00 +/- 3.57, 72.66 +/- 4.50 and 71.66 +/- 4.22 percent kill against Human colon cancer (HCT-15), Cervical cancer (HeLa), and Breast cancer (MDA-MB-231) cell lines, respectively, at 20 mu g/well concentration. Both the nanocomposites also exhibited better antioxidant activity. Total antioxidant activity for SM-CuONC at 50 mu g/ml concentration was found to be highest as 55.33 +/- 3.72 while that of SM-Co(3)O(4)Ns was 52.00 +/- 3.22 mM of ascorbic acid/mu g respectively. Both bio-nanocomposites also exhibited 100% mosquito larvicidal activity at concentration ranging from 40 to 50 mg/l. During cytotoxicity study it is noted that at 5 mu g/well concentration, SM-CuO and SM-Co3O4NCs suspension showed more than 97% viability of normal (L929) cell lines. We also studied phytotoxicity of both bio-nanocomposites on Triticum aestivum. In this study, 100% seed germination was observed when seeds are treated with SM-CuONC and SM-Co3O4NC at 500 mg/l and 250 mg/l concentration respectively.Conclusions: This study concludes that in future as synthesized SM-CuONC and SM-Co3O4NC can be used in pharmaceutical, health care system for betterment and welfare of human life as both bio-nanocomposites exhibits better antimicrobial, anticancer, antioxidant and mosquito larvicidal potential.

10aAchatina fulica mucus10aBio-nanocomposites10aBiological activities10aCharacterization10aToxicity1 aMane, Pramod, C.1 aKadam, Deepali, D.1 aKhadse, Ashok, N.1 aChaudhari, Aditya, R.1 aUghade, Supriya, P.1 aAgawane, Sachin, B.1 aChaudhari, Ravindra, D. uhttps://library.ncl.res.in/content/green-adeptness-synthesis-non-toxic-copper-and-cobalt-oxide-nanocomposites-multifaceted