In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments
In recent decade, nanotechnology has got an extensive advancement in terms of production and application of nanomaterials. With the advancement, concern has risen for their biomedical and ecological safety, provoking a detailed analysis of the safety assement. Numerous experimental and computational...
| Main Authors: | , , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-11-01
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| Series: | Materials & Design |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127523008675 |
| _version_ | 1827687071804817408 |
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| author | Suresh K. Verma Aditya Nandi Faizan Zarreen Simnani Dibyangshee Singh Adrija Sinha Shaikh Sheeran Naser Jyotirmayee Sahoo Sudakshya S. Lenka Pritam Kumar Panda Ateet Dutt Nagendra Kumar Kaushik Deobrat Singh Mrutyunjay Suar |
| author_facet | Suresh K. Verma Aditya Nandi Faizan Zarreen Simnani Dibyangshee Singh Adrija Sinha Shaikh Sheeran Naser Jyotirmayee Sahoo Sudakshya S. Lenka Pritam Kumar Panda Ateet Dutt Nagendra Kumar Kaushik Deobrat Singh Mrutyunjay Suar |
| author_sort | Suresh K. Verma |
| collection | DOAJ |
| description | In recent decade, nanotechnology has got an extensive advancement in terms of production and application of nanomaterials. With the advancement, concern has risen for their biomedical and ecological safety, provoking a detailed analysis of the safety assement. Numerous experimental and computational approach has been developed to accomplish the goal of safety assessment of nanomaterials leading to orgin of interdisciplinary fields like nanoinformatics. Nanoinformatics has accomplished significant strides with the development of several modeling frameworks, data platforms, knowledge infrastructures, and in silico tools for risk assessment forecasts of nanomaterials. This review is an attemption to decipher and establish the bridge between the two emerging scientific arenas that includes computational modeling and nanotoxicity. We have reviewed the recent informations to uncover the link between the computational toxicology and nanotoxicology in terms of biomedical and ecological applications. In addition to the details about nanomaterials interaction with the biological system, this article offers a concise evaluation of recent developments in the various nanoinformatics domains. In detail, the computational tools like molecular docking, QSAR, etc. for the prediction of nanotoxicity here have been described. Moreover, techniques like molecular dynamics simulations used for experimental data collection and their translation to standard computational formats are explored. |
| first_indexed | 2024-03-10T09:26:31Z |
| format | Article |
| id | doaj.art-4fb3a6029b49409c91f776a7733ab525 |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-03-10T09:26:31Z |
| publishDate | 2023-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-4fb3a6029b49409c91f776a7733ab5252023-11-22T04:46:34ZengElsevierMaterials & Design0264-12752023-11-01235112452In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessmentsSuresh K. Verma0Aditya Nandi1Faizan Zarreen Simnani2Dibyangshee Singh3Adrija Sinha4Shaikh Sheeran Naser5Jyotirmayee Sahoo6Sudakshya S. Lenka7Pritam Kumar Panda8Ateet Dutt9Nagendra Kumar Kaushik10Deobrat Singh11Mrutyunjay Suar12KIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, Odisha; Corresponding authors.KIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, OdishaKIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, Odisha; Condensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, SwedenInstituto de Investigaciones en Materiales, UNAM, 04510 CDMX, MexicoPlasma Bioscience Research Center, Department of Electrical and Biological Physics, Kwangwoon University, 01897 Seoul, KoreaCondensed Matter Theory Group, Materials Theory Division, Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden; Corresponding authors.KIIT School of Biotechnology, KIIT University, Bhubaneswar 751024, Odisha; Corresponding authors.In recent decade, nanotechnology has got an extensive advancement in terms of production and application of nanomaterials. With the advancement, concern has risen for their biomedical and ecological safety, provoking a detailed analysis of the safety assement. Numerous experimental and computational approach has been developed to accomplish the goal of safety assessment of nanomaterials leading to orgin of interdisciplinary fields like nanoinformatics. Nanoinformatics has accomplished significant strides with the development of several modeling frameworks, data platforms, knowledge infrastructures, and in silico tools for risk assessment forecasts of nanomaterials. This review is an attemption to decipher and establish the bridge between the two emerging scientific arenas that includes computational modeling and nanotoxicity. We have reviewed the recent informations to uncover the link between the computational toxicology and nanotoxicology in terms of biomedical and ecological applications. In addition to the details about nanomaterials interaction with the biological system, this article offers a concise evaluation of recent developments in the various nanoinformatics domains. In detail, the computational tools like molecular docking, QSAR, etc. for the prediction of nanotoxicity here have been described. Moreover, techniques like molecular dynamics simulations used for experimental data collection and their translation to standard computational formats are explored.http://www.sciencedirect.com/science/article/pii/S0264127523008675NanomaterialsNanotoxicologyComputational biologyIn silico nanotoxicityNanoinformaticsMolecular docking |
| spellingShingle | Suresh K. Verma Aditya Nandi Faizan Zarreen Simnani Dibyangshee Singh Adrija Sinha Shaikh Sheeran Naser Jyotirmayee Sahoo Sudakshya S. Lenka Pritam Kumar Panda Ateet Dutt Nagendra Kumar Kaushik Deobrat Singh Mrutyunjay Suar In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments Materials & Design Nanomaterials Nanotoxicology Computational biology In silico nanotoxicity Nanoinformatics Molecular docking |
| title | In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments |
| title_full | In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments |
| title_fullStr | In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments |
| title_full_unstemmed | In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments |
| title_short | In silico nanotoxicology: The computational biology state of art for nanomaterial safety assessments |
| title_sort | in silico nanotoxicology the computational biology state of art for nanomaterial safety assessments |
| topic | Nanomaterials Nanotoxicology Computational biology In silico nanotoxicity Nanoinformatics Molecular docking |
| url | http://www.sciencedirect.com/science/article/pii/S0264127523008675 |
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