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Volumn 14, Issue 3, 2011, Pages 217-225

Exploring quantitative nanostructure-activity relationships (QNAR) modeling as a tool for predicting biological effects of manufactured nanoparticles

Author keywords

Cheminformatics; Manufactured nanoparticles; Modelingvirtual screening; Nanotoxicity; QSAR

Indexed keywords

CARBON NANOTUBE; IRON OXIDE; NANOPARTICLE; POLYMER; QUANTUM DOT;

EID: 79952333743     PISSN: 13862073     EISSN: None     Source Type: Journal    
DOI: 10.2174/138620711794728743     Document Type: Article
Times cited : (86)

References (63)
  • 1
    • 79952334112 scopus 로고    scopus 로고
    • The Woodrow Wilson International Center for Scholars. Nanotechnology Consumer Product Inventory. 2010
    • The Woodrow Wilson International Center for Scholars. Nanotechnology Consumer Product Inventory. 2010.
  • 4
    • 68649093091 scopus 로고    scopus 로고
    • A predictive toxicological paradigm for the safety assessment of nanomaterials
    • Meng, H., Xia, T.; George, S.; Nel, A. A predictive toxicological paradigm for the safety assessment of nanomaterials. ACS Nano., 2009, 3, 1620-1627.
    • (2009) ACS Nano , vol.3 , pp. 1620-1627
    • Meng, H.1    Xia, T.2    George, S.3    Nel, A.4
  • 6
    • 72549106701 scopus 로고    scopus 로고
    • Nanotoxicology: Damaging DNA from a distance
    • Myllynen, P. Nanotoxicology: damaging DNA from a distance. Nat. Nanotechnol., 2009, 4, 795-796.
    • (2009) Nat. Nanotechnol , vol.4 , pp. 795-796
    • Myllynen, P.1
  • 8
    • 72549119406 scopus 로고    scopus 로고
    • Will the public swallow nanofood?
    • Chun, A.L. Will the public swallow nanofood? Nat. Nanotechnol., 2009, 4, 790-791.
    • (2009) Nat. Nanotechnol , vol.4 , pp. 790-791
    • Chun, A.L.1
  • 9
    • 2942724312 scopus 로고    scopus 로고
    • Nanotoxicology. Nanotechnology grows up
    • Service, R.F. Nanotoxicology. Nanotechnology grows up. Science, 2004, 304, 1732-1734.
    • (2004) Science , vol.304 , pp. 1732-1734
    • Service, R.F.1
  • 10
    • 70350041382 scopus 로고    scopus 로고
    • Guidance for handling and use of nanomaterials at the workplace
    • Heinemann, M.; Schafer, H.G. Guidance for handling and use of nanomaterials at the workplace. Hum. Exp. Toxicol., 2009, 28, 407-411.
    • (2009) Hum. Exp. Toxicol , vol.28 , pp. 407-411
    • Heinemann, M.1    Schafer, H.G.2
  • 11
    • 27144544436 scopus 로고    scopus 로고
    • Smaller is not always better: Nanotechnology yields nanotoxicology
    • Kipen, H.M.; Laskin, D.L. Smaller is not always better: nanotechnology yields nanotoxicology. Am. J. Physiol. Lung Cell Mol. Physiol., 2005, 289, 696-697.
    • (2005) Am. J. Physiol. Lung Cell Mol. Physiol , vol.289 , pp. 696-697
    • Kipen, H.M.1    Laskin, D.L.2
  • 12
    • 20644449754 scopus 로고    scopus 로고
    • Nanotoxicology: An emerging discipline evolving from studies of ultrafine particles
    • DOI 10.1289/ehp.7339
    • Oberdorster, G.; Oberdorster, E.; Oberdorster, J. Nanotoxicology: an emerging discipline evolving from studies of ultrafine particles. Environ. Health Perspect., 2005, 113, 823-839. (Pubitemid 40984181)
    • (2005) Environmental Health Perspectives , vol.113 , Issue.7 , pp. 823-839
    • Oberdorster, G.1    Oberdorster, E.2    Oberdorster, J.3
  • 13
    • 67650239336 scopus 로고    scopus 로고
    • Nanoparticles: Their potential toxicity, waste and environmental management
    • Bystrzejewska-Piotrowska, G.; Golimowski, J.; Urban, P.L. Nanoparticles: Their potential toxicity, waste and environmental management. Waste Management, 2009, 29, 2587-2595.
    • (2009) Waste Management , vol.29 , pp. 2587-2595
    • Bystrzejewska-Piotrowska, G.1    Golimowski, J.2    Urban, P.L.3
  • 15
    • 60749093701 scopus 로고    scopus 로고
    • Analytical methods to assess nanoparticle toxicity
    • Marquis, B.J.; Love, S.A.; Braun, K.L.; Haynes, C.L. Analytical methods to assess nanoparticle toxicity. Analyst, 2009, 134, 425-439.
    • (2009) Analyst , vol.134 , pp. 425-439
    • Marquis, B.J.1    Love, S.A.2    Braun, K.L.3    Haynes, C.L.4
  • 17
    • 71949117632 scopus 로고    scopus 로고
    • Safety assessment for nanotechnology and nanomedicine: Concepts of nanotoxicology
    • Oberdorster, G. Safety assessment for nanotechnology and nanomedicine: concepts of nanotoxicology. J. Intern. Med., 2010, 267, 89-105.
    • J. Intern. Med. , vol.2010 , Issue.267 , pp. 89-105
    • Oberdorster, G.1
  • 18
    • 70350074113 scopus 로고    scopus 로고
    • A nanobiological approach to nanotoxicology
    • Nyland, J. F.; Silbergeld, E.K. A nanobiological approach to nanotoxicology. Hum. Exp. Toxicol., 2009, 28, 393-400.
    • (2009) Hum. Exp. Toxicol , vol.28 , pp. 393-400
    • Nyland, J.F.1    Silbergeld, E.K.2
  • 20
    • 65549103248 scopus 로고    scopus 로고
    • Potential health impact of nanoparticles
    • Xia, T.; Li, N.; Nel, A.E. Potential health impact of nanoparticles. Annu. Rev. Public Health, 2009, 30, 137-150.
    • (2009) Annu. Rev. Public Health , vol.30 , pp. 137-150
    • Xia, T.1    Li, N.2    Nel, A.E.3
  • 21
    • 60749093701 scopus 로고    scopus 로고
    • Analytical methods to assess nanoparticle toxicity
    • Marquis, B.J.; Love, S.A.; Braun, K.L.; Haynes, C.L. Analytical methods to assess nanoparticle toxicity. Analyst, 2009, 134, 425-439.
    • (2009) Analyst , vol.134 , pp. 425-439
    • Marquis, B.J.1    Love, S.A.2    Braun, K.L.3    Haynes, C.L.4
  • 22
  • 23
    • 71949098765 scopus 로고    scopus 로고
    • The role of nanotoxicology in realizing the 'helping without harm' paradigm of nanomedicine: Lessons from studies of pulmonary effects of single-walled carbon nanotubes
    • Shvedova, A.A.; Kagan, V.E. The role of nanotoxicology in realizing the 'helping without harm' paradigm of nanomedicine: lessons from studies of pulmonary effects of single-walled carbon nanotubes. J. Intern. Med., 2010, 267, 106-118.
    • J. Intern. Med. , vol.2010 , Issue.267 , pp. 106-118
    • Shvedova, A.A.1    Kagan, V.E.2
  • 26
    • 0022117736 scopus 로고
    • ATP depletion and loss of cell integrity in anoxic hepatocytes and silicatreated P388D1 macrophages
    • Kane, A.B.; Petrovich, D.R.; Stern, R.O.; Farber, J.L. ATP depletion and loss of cell integrity in anoxic hepatocytes and silicatreated P388D1 macrophages. Am. J. Physiol., 1985, 249, 256-266.
    • (1985) Am. J. Physiol , vol.249 , pp. 256-266
    • Kane, A.B.1    Petrovich, D.R.2    Stern, R.O.3    Farber, J.L.4
  • 27
    • 27144525821 scopus 로고    scopus 로고
    • Blood compatibility of cetyl alcohol/polysorbate-based nanoparticles
    • DOI 10.1007/s11095-005-7547-7
    • Koziara, J.M.; Oh, J.J.; Akers, W.S.; Ferraris, S.P.; Mumper, R.J. Blood compatibility of cetyl alcohol/polysorbate-based nanoparticles. Pharm. Res., 2005, 22, 1821-1828. (Pubitemid 41504335)
    • (2005) Pharmaceutical Research , vol.22 , Issue.11 , pp. 1821-1828
    • Koziara, J.M.1    Oh, J.J.2    Akers, W.S.3    Ferraris, S.P.4    Mumper, R.J.5
  • 28
    • 73349083717 scopus 로고    scopus 로고
    • Toward the development of "nano-QSARs": Advances and challenges
    • Puzyn, T.; Leszczynska, D.; Leszczynski, J. Toward the development of"nano-QSARs": advances and challenges. Small, 2009, 5, 2494-2509.
    • (2009) Small , vol.5 , pp. 2494-2509
    • Puzyn, T.1    Leszczynska, D.2    Leszczynski, J.3
  • 30
    • 34547604210 scopus 로고    scopus 로고
    • Anisotropy of building blocks and their assembly into complex structures
    • Glotzer, S.C.; Solomon, M.J. Anisotropy of building blocks and their assembly into complex structures. Nat. Mater., 2007, 6, 557-562. (Pubitemid 47197675)
    • (2007) Nature Materials , vol.6 , Issue.8 , pp. 557-562
    • Glotzer, S.C.1    Solomon, M.J.2
  • 31
    • 79952325636 scopus 로고    scopus 로고
    • NanoParticle ontology for cancer nanotechnology research
    • In Press
    • Thomas, D.G.; Pappu, R.V.; Baker, N.A. NanoParticle ontology for cancer nanotechnology research. J. Biomed. Inform., 2010, In Press.
    • J. Biomed. Inform. , vol.2010
    • Thomas, D.G.1    Pappu, R.V.2    Baker, N.A.3
  • 33
    • 41649091640 scopus 로고    scopus 로고
    • Identification of possible sources of nanotoxicity from carbon nanotubes inserted into membrane bilayers using membrane interaction quantitative structure--activity relationship analysis
    • Liu, J.; Hopfinger, A.J. Identification of possible sources of nanotoxicity from carbon nanotubes inserted into membrane bilayers using membrane interaction quantitative structure--activity relationship analysis. Chem. Res. Toxicol., 2008, 21, 459-466.
    • (2008) Chem. Res. Toxicol , vol.21 , pp. 459-466
    • Liu, J.1    Hopfinger, A.J.2
  • 34
    • 67449085951 scopus 로고    scopus 로고
    • Affinity of drugs and small biologically active molecules to carbon nanotubes: A pharmacodynamics and nanotoxicity factor?
    • Liu, J.; Yang, L.; Hopfinger, A.J. Affinity of drugs and small biologically active molecules to carbon nanotubes: a pharmacodynamics and nanotoxicity factor? Mol. Pharm., 2009, 6, 873-882.
    • (2009) Mol. Pharm. , vol.6 , pp. 873-882
    • Liu, J.1    Yang, L.2    Hopfinger, A.J.3
  • 35
    • 36949022890 scopus 로고    scopus 로고
    • Predictive QSAR modeling workflow, model applicability domains, and virtual screening
    • DOI 10.2174/138161207782794257
    • Tropsha, A.; Golbraikh, A. Predictive QSAR modeling workflow, model applicability domains, and virtual screening. Curr. Pharm. Des, 2007, 13, 3494-3504. (Pubitemid 350238939)
    • (2007) Current Pharmaceutical Design , vol.13 , Issue.34 , pp. 3494-3504
    • Tropsha, A.1    Golbraikh, A.2
  • 36
    • 32644487931 scopus 로고    scopus 로고
    • The report from the expert group on (Quantitative) Structure-Activity Relationships [(Q)SARs] on the principles for the validation of (Q)SARs
    • QSAR Expert Group
    • QSAR Expert Group. The report from the expert group on (Quantitative) Structure-Activity Relationships [(Q)SARs] on the principles for the validation of (Q)SARs. Organisation For Econ. Co-Op. Developm., 2004, 49, 206-220.
    • (2004) Organisation For Econ. Co-Op. Developm , vol.49 , pp. 206-220
  • 39
    • 79952357168 scopus 로고    scopus 로고
    • Todeschini R. DRAGON for Windows (Software for Molecular Descriptor Calculations), version 5.4. Talete s. r. l: Milan, Italy, 2006
    • Todeschini R. DRAGON for Windows (Software for Molecular Descriptor Calculations), version 5.4. Talete s. r. l: Milan, Italy, 2006.
  • 40
    • 84857109223 scopus 로고    scopus 로고
    • MOE. Molecular operating environment: chemical computing group, (accessed Oct 1, 2010)
    • MOE. Molecular operating environment: chemical computing group. http://www.chemcomp.com (accessed Oct 1, 2010).
  • 42
    • 75149175715 scopus 로고    scopus 로고
    • Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species
    • Fourches, D.; Barnes, J.C.; Day, N.C.; Bradley, P.; Reed, J.Z.; Tropsha, A. Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Chem. Res. Toxicol., 2010, 23, 171-183.
    • (2010) Chem. Res. Toxicol. , vol.23 , pp. 171-183
    • Fourches, D.1    Barnes, J.C.2    Day, N.C.3    Bradley, P.4    Reed, J.Z.5    Tropsha, A.6
  • 43
    • 54249125512 scopus 로고    scopus 로고
    • Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: Focusing on applicability domain and overfitting by variable selection
    • Tetko, I.V.; Sushko, I.; Pandey, A.K.; Zhu, H.; Tropsha, A.; Papa, E.; Oberg, T.; Todeschini, R.; Fourches, D.; Varnek, A. Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection. J. Chem. Inf. Model., 2008, 48, 1733-1746.
    • (2008) J. Chem. Inf. Model , vol.48 , pp. 1733-1746
    • Tetko, I.V.1    Sushko, I.2    Pandey, A.K.3    Zhu, H.4    Tropsha, A.5    Papa, E.6    Oberg, T.7    Todeschini, R.8    Fourches, D.9    Varnek, A.10
  • 45
    • 78049349961 scopus 로고    scopus 로고
    • Trust but verify: On the importance of chemical structure curation in cheminformatics and QSAR modeling research
    • Fourches, D.; Muratov, E.; Tropsha, A. Trust, but verify: on the importance of chemical structure curation in cheminformatics and QSAR modeling research. J. Chem. Inf. Model., 2010, 50, 1189-1204.
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 1189-1204
    • Fourches, D.1    Muratov, E.2    Tropsha, A.3
  • 47
    • 27744590591 scopus 로고    scopus 로고
    • QSAR applicability domain estimation by projection of the training set in descriptor space: A review
    • Jaworska, J.; Nikolova-Jeliazkova, N.; Aldenberg, T. QSAR applicabilty domain estimation by projection of the training set descriptor space: a review. Altern. Lab Anim., 2005, 33, 445-459. (Pubitemid 41613738)
    • (2005) ATLA Alternatives to Laboratory Animals , vol.33 , Issue.5 , pp. 445-459
    • Jaworska, J.1    Nikolova-Jeliazkova, N.2    Aldenberg, T.3
  • 48
    • 33745821727 scopus 로고    scopus 로고
    • Can we estimate the accuracy of ADME-Tox predictions?
    • DOI 10.1016/j.drudis.2006.06.013, PII S1359644606002303
    • Tetko, I.V.; Bruneau, P.; Mewes, H.W.; Rohrer, D.C.; Poda, G.I. Can we estimate the accuracy of ADME-Tox predictions? Drug Discov. Today, 2006, 11, 700-707. (Pubitemid 44038632)
    • (2006) Drug Discovery Today , vol.11 , Issue.15-16 , pp. 700-707
    • Tetko, I.V.1    Bruneau, P.2    Mewes, H.-W.3    Rohrer, D.C.4    Poda, G.I.5
  • 49
    • 0000378338 scopus 로고    scopus 로고
    • Novel variable selection quantitative structure--property relationship approach based on the k-nearestneighbor principle
    • Zheng, W.; Tropsha, A. Novel variable selection quantitative structure--property relationship approach based on the k-nearestneighbor principle. J. Chem. Inf. Comput. Sci., 2000, 40, 185-194.
    • (2000) J. Chem. Inf. Comput. Sci , vol.40 , pp. 185-194
    • Zheng, W.1    Tropsha, A.2
  • 50
    • 0038121705 scopus 로고    scopus 로고
    • Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates
    • DOI 10.1021/jm020491t
    • Shen, M.; Xiao, Y.; Golbraikh, A.; Gombar, V.K.; Tropsha, A. Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates. J. Med. Chem., 2003, 46, 3013-3020. (Pubitemid 36775924)
    • (2003) Journal of Medicinal Chemistry , vol.46 , Issue.14 , pp. 3013-3020
    • Shen, M.1    Xiao, Y.2    Golbraikh, A.3    Gombar, V.K.4    Tropsha, A.5
  • 51
  • 52
    • 27944496941 scopus 로고    scopus 로고
    • Cell-specific targeting of nanoparticles by multivalent attachment of small molecules
    • DOI 10.1038/nbt1159, PII N1159
    • Weissleder, R.; Kelly, K.; Sun, E.Y.; Shtatland, T.; Josephson, L. Cell-specific targeting of nanoparticles by multivalent attachment of small molecules. Nat. Biotechnol., 2005, 23, 1418-1423. (Pubitemid 41679395)
    • (2005) Nature Biotechnology , vol.23 , Issue.11 , pp. 1418-1423
    • Weissleder, R.1    Kelly, K.2    Sun, E.Y.3    Shtatland, T.4    Josephson, L.5
  • 53
    • 77049104948 scopus 로고    scopus 로고
    • Functionalized carbon nanotubes for probing and modulating molecular functions
    • Menard-Moyon, C.; Kostarelos, K.; Prato, M.; Bianco, A. Functionalized carbon nanotubes for probing and modulating molecular functions. Chem. Biol., 2010, 17, 107-115.
    • Chem. Biol. , vol.2010 , Issue.17 , pp. 107-115
    • Menard-Moyon, C.1    Kostarelos, K.2    Prato, M.3    Bianco, A.4
  • 54
    • 38949105860 scopus 로고    scopus 로고
    • Functionalized carbon nanotubes in drug design and discovery
    • Prato, M.; Kostarelos, K.; Bianco, A. Functionalized carbon nanotubes in drug design and discovery. Acc. Chem. Res., 2008, 41, 60-68.
    • (2008) Acc. Chem. Res , vol.41 , pp. 60-68
    • Prato, M.1    Kostarelos, K.2    Bianco, A.3
  • 57
    • 84858196348 scopus 로고    scopus 로고
    • Pulmonary toxicity assessment of multiwalled carbon nanotubes in rats following intratracheal instillation
    • Epub ahead of print
    • Reddy, A.R.; Reddy, Y.N.; Krishna, D.R.; Himabindu, V. Pulmonary toxicity assessment of multiwalled carbon nanotubes in rats following intratracheal instillation. Environ. Toxicol., 2010, [Epub ahead of print].
    • Environ. Toxicol. , vol.2010
    • Reddy, A.R.1    Reddy, Y.N.2    Krishna, D.R.3    Himabindu, V.4
  • 58
    • 77952877794 scopus 로고    scopus 로고
    • Multi wall carbon nanotubes induce oxidative stress and cytotoxicity in human embryonic kidney (HEK293) cells
    • Reddy, A.R.; Reddy, Y.N.; Krishna, D.R.; Himabindu, V. Multi wall carbon nanotubes induce oxidative stress and cytotoxicity in human embryonic kidney (HEK293) cells. Toxicology, 2010, 272, 11-16.
    • (2010) Toxicology , vol.272 , pp. 11-16
    • Reddy, A.R.1    Reddy, Y.N.2    Krishna, D.R.3    Himabindu, V.4
  • 59
    • 43149095577 scopus 로고    scopus 로고
    • A nanocombinatorial library strategy for the discovery of nanotubes with reduced protein-binding, cytotoxicity, and immune response
    • Zhou, H.; Mu, Q.; Gao, N.; Liu, A.; Xing, Y.; Gao, S.; Zhang, Q.; Qu, G.; Chen, Y.; Liu, G.; Zhang, B.; Yan, B. A nanocombinatorial library strategy for the discovery of nanotubes with reduced protein-binding, cytotoxicity, and immune response. Nano. Lett., 2008, 8, 859-865.
    • (2008) Nano. Lett , vol.8 , pp. 859-865
    • Zhou, H.1    Mu, Q.2    Gao, N.3    Liu, A.4    Xing, Y.5    Gao, S.6    Zhang, Q.7    Qu, G.8    Chen, Y.9    Liu, G.10    Zhang, B.11    Yan, B.12
  • 60
    • 33746931581 scopus 로고    scopus 로고
    • On outliers and activity cliffs - Why QSAR often disappoints
    • DOI 10.1021/ci060117s
    • Maggiora, G.M. On outliers and activity cliffs--why QSAR often disappoints. J. Chem. Inf. Model., 2006, 46, 1535. (Pubitemid 44185680)
    • (2006) Journal of Chemical Information and Modeling , vol.46 , Issue.4 , pp. 1535
    • Maggiora, G.M.1
  • 62
    • 77957925656 scopus 로고    scopus 로고
    • Nanoelectronics: Nanoribbons on the edge
    • Rogers, J. A. Nanoelectronics: Nanoribbons on the edge. Nat. Nanotechnol., 2010, 5, 698-699.
    • (2010) Nat. Nanotechnol. , vol.5 , pp. 698-699
    • Rogers, J.A.1
  • 63
    • 68949175206 scopus 로고    scopus 로고
    • Nanoelectronics: From droplets to devices
    • Vanmaekelbergh, D. Nanoelectronics: from droplets to devices. Nat. Nanotechnol., 2009, 4, 475-476.
    • (2009) Nat. Nanotechnol , vol.4 , pp. 475-476
    • Vanmaekelbergh, D.1


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