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      Determining factors for the nano-biocompatibility of cobalt oxide nanoparticles: proximal discrepancy in intrinsic atomic interactions at differential vicinage

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          Abstract

          In vivo and  in vitro Intrinsic atomic interaction of Cobalt oxide nanoparticles (Co 3O 4) describe the differential nano-biocompatibility.

          Abstract

          The abounding use of cobalt oxide nanoparticles (Co 3O 4) requires a detailed understanding of their environmental and biomedical nanotoxicity and an eminent solution to the associated hazards; molecular and atomic aspects of the subject are poorly understood. This study reconnoiters the in vitro and in vivo nanotoxicity of Co 3O 4 nanoparticles using human colon cell lines and the embryonic zebrafish model. The synthesis of Co 3O 4 nanoparticles (G-CoONP) is delineated via the deployment of a medicinal herb, Calotropis gigantea, as an alternative greener solution; stable G-CoONP with a size of 41 ± 15 nm are attainable. Gas chromatography-mass spectroscopy (GCMS) analysis revealed the role of floral extract biomolecules in G-CoO NP synthesis. The in vitro and in vivo effects are accompanied by dose-dependent exposure at the molecular level by eliciting Sod1 and P53 genes up to 8.2 and 5.2 fold leading to a significant change in the reactive oxygen species and apoptosis level. It unraveled the toxicity of the cobalt oxide NP as increased apoptosis elicited by higher oxidative stress due to the accumulation and internalization of nanoparticles in cells and embryos. Green synthesized G-CoONP exhibited higher biocompatibility than commercial C-CoONP with reduced apoptosis and ROS in both human colon cell lines and zebrafish embryos. In silico analysis portrayed the intrinsic atomic interaction of Co 3O 4 NP with cysteine, arginine, and histidine of oxidative stress (SOD1/sod1) and apoptosis (TP53/tp53) proteins leading to dysregulation of their structural and functional integrity in human and zebrafish, respectively. A proximal discrepancy in intrinsic atomic interaction due to the H-bonding and hydrophobic interaction at the differential in vitro and in vivo vicinage served as a key determinant factor for the cellular biocompatibility of Co 3O 4 nanoparticles.

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          Most cited references71

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          UCSF Chimera--a visualization system for exploratory research and analysis.

          The design, implementation, and capabilities of an extensible visualization system, UCSF Chimera, are discussed. Chimera is segmented into a core that provides basic services and visualization, and extensions that provide most higher level functionality. This architecture ensures that the extension mechanism satisfies the demands of outside developers who wish to incorporate new features. Two unusual extensions are presented: Multiscale, which adds the ability to visualize large-scale molecular assemblies such as viral coats, and Collaboratory, which allows researchers to share a Chimera session interactively despite being at separate locales. Other extensions include Multalign Viewer, for showing multiple sequence alignments and associated structures; ViewDock, for screening docked ligand orientations; Movie, for replaying molecular dynamics trajectories; and Volume Viewer, for display and analysis of volumetric data. A discussion of the usage of Chimera in real-world situations is given, along with anticipated future directions. Chimera includes full user documentation, is free to academic and nonprofit users, and is available for Microsoft Windows, Linux, Apple Mac OS X, SGI IRIX, and HP Tru64 Unix from http://www.cgl.ucsf.edu/chimera/. Copyright 2004 Wiley Periodicals, Inc.
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            AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.

            We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the receptor. Several tests are reported here, including a redocking experiment with 188 diverse ligand-protein complexes and a cross-docking experiment using flexible sidechains in 87 HIV protease complexes. We also report its utility in analysis of covalently bound ligands, using both a grid-based docking method and a modification of the flexible sidechain technique. (c) 2009 Wiley Periodicals, Inc.
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              Is Open Access

              STRING v9.1: protein-protein interaction networks, with increased coverage and integration

              Complete knowledge of all direct and indirect interactions between proteins in a given cell would represent an important milestone towards a comprehensive description of cellular mechanisms and functions. Although this goal is still elusive, considerable progress has been made—particularly for certain model organisms and functional systems. Currently, protein interactions and associations are annotated at various levels of detail in online resources, ranging from raw data repositories to highly formalized pathway databases. For many applications, a global view of all the available interaction data is desirable, including lower-quality data and/or computational predictions. The STRING database (http://string-db.org/) aims to provide such a global perspective for as many organisms as feasible. Known and predicted associations are scored and integrated, resulting in comprehensive protein networks covering >1100 organisms. Here, we describe the update to version 9.1 of STRING, introducing several improvements: (i) we extend the automated mining of scientific texts for interaction information, to now also include full-text articles; (ii) we entirely re-designed the algorithm for transferring interactions from one model organism to the other; and (iii) we provide users with statistical information on any functional enrichment observed in their networks.
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                Author and article information

                Contributors
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                Journal
                GRCHFJ
                Green Chemistry
                Green Chem.
                Royal Society of Chemistry (RSC)
                1463-9262
                1463-9270
                May 11 2021
                2021
                : 23
                : 9
                : 3439-3458
                Affiliations
                [1 ]School of Biotechnology
                [2 ]KIIT University
                [3 ]Bhubaneswar
                [4 ]India
                [5 ]Condensed Matter Theory Group
                [6 ]Materials Theory Division
                [7 ]Department of Physics and Astronomy
                [8 ]Uppsala University
                [9 ]SE-751 20 Uppsala
                [10 ]Advance science and technology research Centre
                [11 ]Vinoba Bhave University
                [12 ]Faculty of Science
                [13 ]Masaryk University
                [14 ]Department of Biosciences
                [15 ]New Delhi
                [16 ]Leibniz-Institut für Analytische Wissenschaften – ISAS – e.V.
                [17 ]44139 Dortmund
                [18 ]Germany
                [19 ]Mads Clausen Institute
                [20 ]NanoSYD
                [21 ]University of Southern Denmark
                [22 ]DK-6400 Sønderborg
                [23 ]Denmark
                [24 ]Regional Centre of Advanced Technologies and Materials
                [25 ]Palacký University in Olomouc
                [26 ]783 71 Olomouc
                [27 ]Czech Republic
                Article
                10.1039/D1GC00571E
                f4574dd7-9f27-4589-8d73-3860ace08104
                © 2021

                http://rsc.li/journals-terms-of-use

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