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Volumn 10, Issue 2, 2015, Pages 193-204

Computational modeling in nanomedicine: Prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model

Author keywords

antibacterial activity; moving average approach; nanoparticle; perturbation; QSAR

Indexed keywords

COPPER; NANOMATERIAL; NANOPARTICLE; SILVER; ALLOY; ANTIINFECTIVE AGENT;

EID: 84921519852     PISSN: 17435889     EISSN: 17486963     Source Type: Journal    
DOI: 10.2217/nnm.14.96     Document Type: Article
Times cited : (61)

References (68)
  • 2
    • 84887947643 scopus 로고    scopus 로고
    • Organic field-effect transistor memory devices using discrete ferritin nanoparticle-based gate dielectrics
    • Kim BJ, Ko Y, Cho JH, Cho J. Organic field-effect transistor memory devices using discrete ferritin nanoparticle-based gate dielectrics. Small 9(22), 3784-3791 (2013).
    • (2013) Small , vol.9 , Issue.22 , pp. 3784-3791
    • Kim, B.J.1    Ko, Y.2    Cho, J.H.3    Cho, J.4
  • 3
  • 4
    • 84870442472 scopus 로고    scopus 로고
    • Probing surface band bending of surface-engineered metal oxide nanowires
    • Chen CY, Retamal JR, Wu IW et al. Probing surface band bending of surface-engineered metal oxide nanowires. ACS Nano 6(11), 9366-9372 (2012).
    • (2012) ACS Nano , vol.6 , Issue.11 , pp. 9366-9372
    • Chen, C.Y.1    Retamal, J.R.2    Wu, I.W.3
  • 5
    • 84887012758 scopus 로고    scopus 로고
    • Palladium nanoparticle enhanced giant photoresponse at LaAlO/SrTiO two-dimensional electron gas heterostructures
    • Chan NY, Zhao M, Wang N et al. Palladium nanoparticle enhanced giant photoresponse at LaAlO/SrTiO two-dimensional electron gas heterostructures. ACS Nano 7(10), 8673-8679 (2013).
    • (2013) ACS Nano , vol.7 , Issue.10 , pp. 8673-8679
    • Chan, N.Y.1    Zhao, M.2    Wang, N.3
  • 6
    • 84880634824 scopus 로고    scopus 로고
    • Near-infrared light-mediated nanoplatforms for cancer thermo-chemotherapy and optical imaging
    • Zhang Z, Wang J, Chen C. Near-infrared light-mediated nanoplatforms for cancer thermo-chemotherapy and optical imaging. Adv. Mater. 25(28), 3869-3880 (2013).
    • (2013) Adv. Mater. , vol.25 , Issue.28 , pp. 3869-3880
    • Zhang, Z.1    Wang, J.2    Chen, C.3
  • 8
    • 67650672138 scopus 로고    scopus 로고
    • Biomedical applications of distally controlled magnetic nanoparticles
    • Corchero JL, Villaverde A. Biomedical applications of distally controlled magnetic nanoparticles. Trends Biotechnol. 27(8), 468-476 (2009).
    • (2009) Trends Biotechnol. , vol.27 , Issue.8 , pp. 468-476
    • Corchero, J.L.1    Villaverde, A.2
  • 9
    • 0035851967 scopus 로고    scopus 로고
    • Catalysis by metal nanoparticles supported on functional organic polymers
    • Biffis A, Králik M. Catalysis by metal nanoparticles supported on functional organic polymers. J. Mol. Catal. A 177(1), 113-138 (2001).
    • (2001) J. Mol. Catal. A , vol.177 , Issue.1 , pp. 113-138
    • Biffis, A.1    Králik, M.2
  • 10
    • 84885467494 scopus 로고    scopus 로고
    • A sinter-resistant catalytic system fabricated by maneuvering the selectivity of SiO2 deposition onto TiO2 surface versus pt nanoparticle surface
    • Lu P, Campbell CT, Xia Y. A sinter-resistant catalytic system fabricated by maneuvering the selectivity of SiO2 deposition onto TiO2 surface versus pt nanoparticle surface. Nano Lett. 13(10), 4957-4962 (2013).
    • (2013) Nano Lett. , vol.13 , Issue.10 , pp. 4957-4962
    • Lu, P.1    Campbell, C.T.2    Xia, Y.3
  • 11
    • 84875851286 scopus 로고    scopus 로고
    • Loading metal nanostructures on cotton fabrics as recyclable catalysts
    • Yang B, Zhao C, Xiao M et al. Loading metal nanostructures on cotton fabrics as recyclable catalysts. Small 9(7), 1003-1007 (2013).
    • (2013) Small , vol.9 , Issue.7 , pp. 1003-1007
    • Yang, B.1    Zhao, C.2    Xiao, M.3
  • 12
    • 78651486340 scopus 로고    scopus 로고
    • Synthesis characterization, and catalytic application of highly ordered mesoporous alumina-carbon nanocomposites
    • Xu J, Wang A, Wang X, Su D, Zhang T. Synthesis, characterization, and catalytic application of highly ordered mesoporous alumina-carbon nanocomposites. Nano Res. 4(1), 50-60 (2011).
    • (2011) Nano Res. , vol.4 , Issue.1 , pp. 50-60
    • Xu, J.1    Wang, A.2    Wang, X.3    Su, D.4    Zhang, T.5
  • 13
    • 77957712854 scopus 로고    scopus 로고
    • TiO2 nanocrystals grown on graphene as advanced photocatalytic hybrid materials
    • Liang Y, Wang H, Sanchez Casalongue H, Chen Z, Dai H. TiO2 nanocrystals grown on graphene as advanced photocatalytic hybrid materials. Nano Res. 3(10), 701-705 (2010).
    • (2010) Nano Res. , vol.3 , Issue.10 , pp. 701-705
    • Liang, Y.1    Wang, H.2    Sanchez Casalongue, H.3    Chen, Z.4    Dai, H.5
  • 14
    • 84922107234 scopus 로고    scopus 로고
    • Nanoparticles in biomedical applications and their safety concerns
    • Fazel R (Ed. InTech, China
    • Choi J, Wang NS. Nanoparticles in biomedical applications and their safety concerns. In: Biomedical Engineering-From Theory to Applications. Fazel R (Ed.). InTech, China, 299-314 (2011).
    • (2011) Biomedical Engineering-From Theory to Applications , pp. 299-314
    • Choi, J.1    Wang, N.S.2
  • 15
    • 33745464269 scopus 로고    scopus 로고
    • Immunofluorescent labeling of cancer cells with quantum dots synthesized in aqueous solution
    • Li Z, Wang K, Tan W et al. Immunofluorescent labeling of cancer cells with quantum dots synthesized in aqueous solution. Anal. Biochem. 354(2), 169-174 (2006).
    • (2006) Anal. Biochem. , vol.354 , Issue.2 , pp. 169-174
    • Li, Z.1    Wang, K.2    Tan, W.3
  • 16
    • 84886998980 scopus 로고    scopus 로고
    • DNA nanotechnology: From sensing and DNA machines to drug-delivery systems
    • Lu CH, Willner B, Willner I. DNA nanotechnology: from sensing and DNA machines to drug-delivery systems. ACS Nano 7(10), 8320-8332 (2013).
    • (2013) ACS Nano , vol.7 , Issue.10 , pp. 8320-8332
    • Ch, L.1    Willner, B.2    Willner, I.3
  • 17
    • 84886784764 scopus 로고    scopus 로고
    • Multilayer dual-polymer-coated upconversion nanoparticles for multimodal imaging and serum-enhanced gene delivery
    • He L, Feng L, Cheng L et al. Multilayer dual-polymer-coated upconversion nanoparticles for multimodal imaging and serum-enhanced gene delivery. ACS Appl. Mater. Interfaces 5(20), 10381-10388 (2013).
    • (2013) ACS Appl. Mater. Interfaces , vol.5 , Issue.20 , pp. 10381-10388
    • He, L.1    Feng, L.2    Cheng, L.3
  • 18
    • 41549148118 scopus 로고    scopus 로고
    • Strain specificity in antimicrobial activity of silver and copper nanoparticles
    • Ruparelia JP, Chatterjee AK, Duttagupta SP, Mukherji S. Strain specificity in antimicrobial activity of silver and copper nanoparticles. Acta Biomater. 4(3), 707-716 (2008).
    • (2008) Acta Biomater. , vol.4 , Issue.3 , pp. 707-716
    • Ruparelia, J.P.1    Chatterjee, A.K.2    Duttagupta, S.P.3    Mukherji, S.4
  • 19
    • 84860915923 scopus 로고    scopus 로고
    • A novel study of antibacterial activity of copper iodide nanoparticle mediated by DNA and membrane damage
    • Pramanik A, Laha D, Bhattacharya D, Pramanik P, Karmakar P. A novel study of antibacterial activity of copper iodide nanoparticle mediated by DNA and membrane damage. Colloids Surf. B Biointerfaces 96, 50-55 (2012).
    • (2012) Colloids Surf. B Biointerfaces , vol.96 , pp. 50-55
    • Pramanik, A.1    Laha, D.2    Bhattacharya, D.3    Pramanik, P.4    Karmakar, P.5
  • 20
    • 84875751789 scopus 로고    scopus 로고
    • Antimicrobial activity of metal oxide nanoparticles against Gram-positive and Gram-negative bacteria: A comparative study
    • Azam A, Ahmed AS, Oves M, Khan MS, Habib SS, Memic A. Antimicrobial activity of metal oxide nanoparticles against Gram-positive and Gram-negative bacteria: a comparative study. Int. J. Nanomedicine 7, 6003-6009 (2012).
    • (2012) Int. J. Nanomedicine , vol.7 , pp. 6003-6009
    • Azam, A.1    Ahmed, A.S.2    Oves, M.3    Khan, M.S.4    Habib, S.S.5    Memic, A.6
  • 21
    • 84870370476 scopus 로고    scopus 로고
    • Size-dependent antimicrobial properties of CuO nanoparticles against Gram-positive and-negative bacterial strains
    • Azam A, Ahmed AS, Oves M, Khan MS, Memic A. Size-dependent antimicrobial properties of CuO nanoparticles against Gram-positive and-negative bacterial strains. Int. J. Nanomedicine 7, 3527-3535 (2012).
    • (2012) Int. J. Nanomedicine , vol.7 , pp. 3527-3535
    • Azam, A.1    Ahmed, A.S.2    Oves, M.3    Khan, M.S.4    Memic, A.5
  • 22
    • 84880810426 scopus 로고    scopus 로고
    • Toxicity of cadmium sulfide (CdS) nanoparticles against Escherichia coli and HeLa cells
    • Hossain ST, Mukherjee SK. Toxicity of cadmium sulfide (CdS) nanoparticles against Escherichia coli and HeLa cells. J. Hazard. Mater. 260, 1073-1082 (2013).
    • (2013) J. Hazard. Mater. , vol.260 , pp. 1073-1082
    • Hossain, S.T.1    Mukherjee, S.K.2
  • 23
    • 84861396966 scopus 로고    scopus 로고
    • Nanoparticles and surfaces presenting antifungal, antibacterial and antiviral properties
    • Botequim D, Maia J, Lino MM et al. Nanoparticles and surfaces presenting antifungal, antibacterial and antiviral properties. Langmuir 28(20), 7646-7656 (2012).
    • (2012) Langmuir , vol.28 , Issue.20 , pp. 7646-7656
    • Botequim, D.1    Maia, J.2    Lino, M.M.3
  • 24
    • 84861636300 scopus 로고    scopus 로고
    • Antibacterial activity of glutathione-coated silver nanoparticles against Gram positive and Gram negative bacteria
    • Taglietti A, Diaz Fernandez YA, Amato E et al. Antibacterial activity of glutathione-coated silver nanoparticles against Gram positive and Gram negative bacteria. Langmuir 28(21), 8140-8148 (2012).
    • (2012) Langmuir , vol.28 , Issue.21 , pp. 8140-8148
    • Taglietti, A.1    Diaz Fernandez, Y.A.2    Amato, E.3
  • 25
    • 84870486706 scopus 로고    scopus 로고
    • CdO nanoparticle toxicity on growth, morphology, and cell division in Escherichia coli
    • Hossain ST, Mukherjee SK. CdO nanoparticle toxicity on growth, morphology, and cell division in Escherichia coli. Langmuir 28(48), 16614-16622 (2012).
    • (2012) Langmuir , vol.28 , Issue.48 , pp. 16614-16622
    • Hossain, S.T.1    Mukherjee, S.K.2
  • 26
    • 79952750431 scopus 로고    scopus 로고
    • Selective toxicity of ZnO nanoparticles toward Gram-positive bacteria and cancer cells by apoptosis through lipid peroxidation
    • Premanathan M, Karthikeyan K, Jeyasubramanian K, Manivannan G. Selective toxicity of ZnO nanoparticles toward Gram-positive bacteria and cancer cells by apoptosis through lipid peroxidation. Nanomedicine 7(2), 184-192 (2011).
    • (2011) Nanomedicine , vol.7 , Issue.2 , pp. 184-192
    • Premanathan, M.1    Karthikeyan, K.2    Jeyasubramanian, K.3    Manivannan, G.4
  • 27
    • 79251583739 scopus 로고    scopus 로고
    • The synthesis and characterization of poly(gamma-glutamic acid)-coated magnetite nanoparticles and their effects on antibacterial activity and cytotoxicity
    • Inbaraj BS, Kao TH, Tsai TY, Chiu CP, Kumar R, Chen BH. The synthesis and characterization of poly(gamma-glutamic acid)-coated magnetite nanoparticles and their effects on antibacterial activity and cytotoxicity. Nanotechnology 22(7), 075101 (2011).
    • (2011) Nanotechnology , vol.22 , Issue.7 , pp. 075101
    • Inbaraj, B.S.1    Kao, T.H.2    Tsai, T.Y.3    Chiu, C.P.4    Kumar, R.5    Chen, B.H.6
  • 28
    • 61449116709 scopus 로고    scopus 로고
    • In vitro evaluation of cytotoxicity of engineered metal oxide nanoparticles
    • Hu X, Cook S, Wang P, Hwang HM. In vitro evaluation of cytotoxicity of engineered metal oxide nanoparticles. Sci. Total Environ. 407(8), 3070-3072 (2009).
    • (2009) Sci. Total Environ. , vol.407 , Issue.8 , pp. 3070-3072
    • Hu, X.1    Cook, S.2    Wang, P.3    Hwang, H.M.4
  • 29
    • 84883728541 scopus 로고    scopus 로고
    • Synergy of non-antibiotic drugs and pyrimidinethiol on gold nanoparticles against superbugs
    • Zhao Y, Chen Z, Chen Y, Xu J, Li J, Jiang X. Synergy of non-antibiotic drugs and pyrimidinethiol on gold nanoparticles against superbugs. J. Am. Chem. Soc. 135(35), 12940-12943 (2013).
    • (2013) J. Am. Chem. Soc. , vol.135 , Issue.35 , pp. 12940-12943
    • Zhao, Y.1    Chen, Z.2    Chen, Y.3    Xu, J.4    Li, J.5    Jiang, X.6
  • 31
    • 45149099005 scopus 로고    scopus 로고
    • Antibacterial nanomedicine
    • Yacoby I, Benhar I. Antibacterial nanomedicine. Nanomedicine (Lond.) 3(3), 329-341 (2008).
    • (2008) Nanomedicine (Lond.) , vol.3 , Issue.3 , pp. 329-341
    • Yacoby, I.1    Benhar, I.2
  • 32
    • 84877637985 scopus 로고    scopus 로고
    • Nanotechnology tools for antibacterial materials
    • Rizzello L, Cingolani R, Pompa PP. Nanotechnology tools for antibacterial materials. Nanomedicine (Lond.) 8(5), 807-821 (2013).
    • (2013) Nanomedicine (Lond.) , vol.8 , Issue.5 , pp. 807-821
    • Rizzello, L.1    Cingolani, R.2    Pompa, P.P.3
  • 33
    • 69549111337 scopus 로고    scopus 로고
    • Antibiotics for emerging pathogens
    • Fischbach MA, Walsh CT. Antibiotics for emerging pathogens. Science 325(5944), 1089-1093 (2009).
    • (2009) Science , vol.325 , Issue.5944 , pp. 1089-1093
    • Fischbach, M.A.1    Walsh, C.T.2
  • 34
    • 84875285761 scopus 로고    scopus 로고
    • Ecological nanotoxicology: Integrating nanomaterial hazard considerations across the subcellular, population, community, and ecosystems levels
    • Holden PA, Nisbet RM, Lenihan HS et al. Ecological nanotoxicology: integrating nanomaterial hazard considerations across the subcellular, population, community, and ecosystems levels. Acc. Chem. Res. 46(3), 813-822 (2013).
    • (2013) Acc. Chem. Res. , vol.46 , Issue.3 , pp. 813-822
    • Holden, P.A.1    Nisbet, R.M.2    Lenihan, H.S.3
  • 35
    • 0033730007 scopus 로고    scopus 로고
    • In silico studies for the rational discovery of anticonvulsant compounds
    • Estrada E, Penã A. In silico studies for the rational discovery of anticonvulsant compounds. Bioorg. Med. Chem. 8(12), 2755-2770 (2000).
    • (2000) Bioorg. Med. Chem. , vol.8 , Issue.12 , pp. 2755-2770
    • Estrada, E.1    Penã, A.2
  • 36
    • 0034038110 scopus 로고    scopus 로고
    • A novel approach for the virtual screening and rational design of anticancer compounds
    • Estrada E, Uriarte E, Montero A, Teijeira M, Santana L, De Clercq E. A novel approach for the virtual screening and rational design of anticancer compounds. J. Med. Chem. 43(10), 1975-1985 (2000).
    • (2000) J. Med. Chem. , vol.43 , Issue.10 , pp. 1975-1985
    • Estrada, E.1    Uriarte, E.2    Montero, A.3    Teijeira, M.4    Santana, L.5    De Clercq, E.6
  • 37
    • 32344446616 scopus 로고    scopus 로고
    • A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins
    • Santana L, Uriarte E, Gonzalez-Diaz H, Zagotto G, Soto-Otero R, Mendez-Alvarez E. A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins. J. Med. Chem. 49(3), 1149-1156 (2006).
    • (2006) J. Med. Chem. , vol.49 , Issue.3 , pp. 1149-1156
    • Santana, L.1    Uriarte, E.2    Gonzalez-Diaz, H.3    Zagotto, G.4    Soto-Otero, R.5    Mendez-Alvarez, E.6
  • 38
    • 79955637731 scopus 로고    scopus 로고
    • Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors
    • Marzaro G, Chilin A, Guiotto A et al. Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors. Eur. J. Med. Chem. 46(6), 2185-2192 (2011).
    • (2011) Eur. J. Med. Chem. , vol.46 , Issue.6 , pp. 2185-2192
    • Marzaro, G.1    Chilin, A.2    Guiotto, A.3
  • 39
    • 84883677787 scopus 로고    scopus 로고
    • Editorial (hot topic: Computer-aided drug design, synthesis and evaluation of new anti-cancer drugs
    • Cordeiro MNDS, Speck-Planche A. Editorial (hot topic: computer-aided drug design, synthesis and evaluation of new anti-cancer drugs).Curr. Top. Med. Chem. 12(24), 2703-2704 (2012).
    • (2012) Curr. Top. Med. Chem. , vol.12 , Issue.24 , pp. 2703-2704
    • Cordeiro, M.N.D.S.1    Speck-Planche, A.2
  • 40
    • 84883689309 scopus 로고    scopus 로고
    • Abelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias. Role of the current computer-aided drug design methodologies
    • Speck-Planche A, Luan F, Cordeiro MNDS. Abelson tyrosine-protein kinase 1 as principal target for drug discovery against leukemias. Role of the current computer-aided drug design methodologies. Curr. Top. Med. Chem. 12(24), 2745-2762 (2012).
    • (2012) Curr. Top. Med. Chem. , vol.12 , Issue.24 , pp. 2745-2762
    • Speck-Planche, A.1    Luan, F.2    Cordeiro, M.N.D.S.3
  • 41
    • 0028047301 scopus 로고
    • Structure-genotoxicity relationships of allylbenzenes and propenylbenzenes: A quantum chemical study
    • Tsai RS, Carrupt PA, Testa B, Caldwell J. Structure-genotoxicity relationships of allylbenzenes and propenylbenzenes: a quantum chemical study. Chem. Res. Toxicol. 7(1), 73-76 (1994).
    • (1994) Chem. Res. Toxicol. , vol.7 , Issue.1 , pp. 73-76
    • Tsai, R.S.1    Carrupt, P.A.2    Testa, B.3    Caldwell, J.4
  • 42
    • 0142139289 scopus 로고    scopus 로고
    • Computer-aided knowledge generation for understanding skin sensitization mechanisms: The TOPS-MODE approach
    • Estrada E, Patlewicz G, Chamberlain M, Basketter D, Larbey S. Computer-aided knowledge generation for understanding skin sensitization mechanisms: the TOPS-MODE approach. Chem. Res. Toxicol. 16(10), 1226-1235 (2003).
    • (2003) Chem. Res. Toxicol. , vol.16 , Issue.10 , pp. 1226-1235
    • Estrada, E.1    Patlewicz, G.2    Chamberlain, M.3    Basketter, D.4    Larbey, S.5
  • 43
    • 41849087712 scopus 로고    scopus 로고
    • 3D-MEDNEs: An alternative 'in silico' technique for chemical research in toxicology. 2. Quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy
    • Cruz-Monteagudo M, Gonzalez-Diaz H, Borges F, Dominguez ER, Cordeiro MNDS. 3D-MEDNEs: an alternative 'in silico' technique for chemical research in toxicology. 2. Quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy. Chem. Res. Toxicol. 21(3), 619-632 (2008).
    • (2008) Chem. Res. Toxicol. , vol.21 , Issue.3 , pp. 619-632
    • Cruz-Monteagudo, M.1    Gonzalez-Diaz, H.2    Borges, F.3    Dominguez, E.R.4    Cordeiro, M.N.D.S.5
  • 44
    • 34248554406 scopus 로고    scopus 로고
    • Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds
    • Helguera AM, Gonzalez MP, Cordeiro MNDS, Perez MA. Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds. Toxicol. Appl. Pharmacol. 221(2), 189-202 (2007).
    • (2007) Toxicol. Appl. Pharmacol. , vol.221 , Issue.2 , pp. 189-202
    • Helguera, A.M.1    Gonzalez, M.P.2    Cordeiro, M.N.D.S.3    Perez, M.A.4
  • 45
    • 23644443075 scopus 로고    scopus 로고
    • Recognition of stable protein mutants with 3D stochastic average electrostatic potentials
    • Gonzalez-Diaz H, Molina R, Uriarte E. Recognition of stable protein mutants with 3D stochastic average electrostatic potentials. FEBS Lett. 579(20), 4297-4301 (2005).
    • (2005) FEBS Lett. , vol.579 , Issue.20 , pp. 4297-4301
    • Gonzalez-Diaz, H.1    Molina, R.2    Uriarte, E.3
  • 46
    • 33947725480 scopus 로고    scopus 로고
    • 2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function
    • Gonzalez-Diaz H, Aguero-Chapin G, Varona J et al. 2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function. J. Comput. Chem. 28(6), 1049-1056 (2007).
    • (2007) J. Comput. Chem. , vol.28 , Issue.6 , pp. 1049-1056
    • Gonzalez-Diaz, H.1    Aguero-Chapin, G.2    Varona, J.3
  • 47
    • 70349895744 scopus 로고    scopus 로고
    • Prediction of enzyme classes from 3D structure: A general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins
    • Concu R, Dea-Ayuela MA, Perez-Montoto LG et al. Prediction of enzyme classes from 3D structure: a general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins. J. Proteome Res. 8(9), 4372-4382 (2009).
    • (2009) J. Proteome Res. , vol.8 , Issue.9 , pp. 4372-4382
    • Concu, R.1    Dea-Ayuela, M.A.2    Perez-Montoto, L.G.3
  • 48
    • 79952372146 scopus 로고    scopus 로고
    • Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles
    • Puzyn T, Rasulev B, Gajewicz A et al. Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles. Nat. Nanotechnol. 6(3), 175-178 (2011).
    • (2011) Nat. Nanotechnol. , vol.6 , Issue.3 , pp. 175-178
    • Puzyn, T.1    Rasulev, B.2    Gajewicz, A.3
  • 49
    • 84865704741 scopus 로고    scopus 로고
    • Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli
    • Toropov AA, Toropova AP, Benfenati E et al. Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli. Chemosphere 89(9), 1098-1102 (2012).
    • (2012) Chemosphere , vol.89 , Issue.9 , pp. 1098-1102
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 50
    • 84887936819 scopus 로고    scopus 로고
    • General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal chemistry
    • González-Diáz H, Arrasate S, Gomez-Sanjuan A et al. General theory for multiple input-output perturbations in complex molecular systems. 1. Linear QSPR electronegativity models in physical, organic, and medicinal chemistry. Curr. Top. Med. Chem. 13(14), 1713-1741 (2013).
    • (2013) Curr. Top. Med. Chem. , vol.13 , Issue.14 , pp. 1713-1741
    • González-Diáz, H.1    Arrasate, S.2    Gomez-Sanjuan, A.3
  • 51
    • 80051551297 scopus 로고    scopus 로고
    • Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
    • Sushko I, Novotarskyi S, Korner R et al. Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6), 533-554 (2011).
    • (2011) J. Comput. Aided Mol. Des. , vol.25 , Issue.6 , pp. 533-554
    • Sushko, I.1    Novotarskyi, S.2    Korner, R.3
  • 54
    • 0000068058 scopus 로고    scopus 로고
    • Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications for the prediction of physical properties of alkanes
    • Estrada E. Spectral moments of the edge adjacency matrix in molecular graphs. 1. Definition and applications for the prediction of physical properties of alkanes. J. Chem. Inf. Comput. Sci. 36(4), 844-849 (1996).
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , Issue.4 , pp. 844-849
    • Estrada, E.1
  • 55
    • 0000125522 scopus 로고    scopus 로고
    • Spectral moments of the edge adjacency matrix in molecular graphs.2. Molecules containing heteroatoms and QSAR applications
    • Estrada E. Spectral moments of the edge adjacency matrix in molecular graphs. 2. Molecules containing heteroatoms and QSAR applications. J. Chem. Inf. Comput. Sci. 37(2), 320-328 (1997).
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , Issue.2 , pp. 320-328
    • Estrada, E.1
  • 56
    • 0002519128 scopus 로고    scopus 로고
    • Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles
    • Estrada E. Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles. J. Chem. Inf. Comput. Sci. 38(1), 23-27 (1998).
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , Issue.1 , pp. 23-27
    • Estrada, E.1
  • 59
    • 72449156778 scopus 로고    scopus 로고
    • 3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites
    • Concu R, Dea-Ayuela MA, Perez-Montoto LG et al. 3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites. Biochim. Biophys. Acta 1794(12), 1784-1794 (2009).
    • (2009) Biochim. Biophys. Acta , vol.1794 , Issue.12 , pp. 1784-1794
    • Concu, R.1    Dea-Ayuela, M.A.2    Perez-Montoto, L.G.3
  • 60
    • 67650113056 scopus 로고    scopus 로고
    • Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic HINT, and van der Waals potentials
    • Concu R, Podda G, Uriarte E, Gonzalez-Diaz H. Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials. J. Comput. Chem. 30(9), 1510-1520 (2009).
    • (2009) J. Comput. Chem. , vol.30 , Issue.9 , pp. 1510-1520
    • Concu, R.1    Podda, G.2    Uriarte, E.3    Gonzalez-Diaz, H.4
  • 61
    • 80051566363 scopus 로고    scopus 로고
    • First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines
    • Garcia I, Fall Y, Gomez G, Gonzalez-Diaz H. First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines. Mol. Divers. 15(2), 561-567 (2011).
    • (2011) Mol. Divers. , vol.15 , Issue.2 , pp. 561-567
    • Garcia, I.1    Fall, Y.2    Gomez, G.3    Gonzalez-Diaz, H.4
  • 62
    • 84887917955 scopus 로고    scopus 로고
    • Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity
    • Tenorio-Borroto E, Garcia-Mera X, Penuelas-Rivas CG et al. Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity. Curr. Top. Med. Chem. 13(14), 1636-1649 (2013).
    • (2013) Curr. Top. Med. Chem. , vol.13 , Issue.14 , pp. 1636-1649
    • Tenorio-Borroto, E.1    Garcia-Mera, X.2    Penuelas-Rivas, C.G.3
  • 67
    • 25444497481 scopus 로고    scopus 로고
    • The bactericidal effect of silver nanoparticles
    • Morones JR, Elechiguerra JL, Camacho A et al. The bactericidal effect of silver nanoparticles. Nanotechnology 16(10), 2346-2353 (2005).
    • (2005) Nanotechnology , vol.16 , Issue.10 , pp. 2346-2353
    • Morones, J.R.1    Elechiguerra, J.L.2    Camacho, A.3
  • 68
    • 79951510819 scopus 로고    scopus 로고
    • Synthesis and anti-bacterial activity of Cu Ag and Cu-Ag alloy nanoparticles: A green approach
    • Valodkar M, Modi S, Pal A, Thakore S. Synthesis and anti-bacterial activity of Cu, Ag and Cu-Ag alloy nanoparticles: a green approach. Mater. Res. Bull. 46(3), 384-389 (2011).
    • (2011) Mater. Res. Bull. , vol.46 , Issue.3 , pp. 384-389
    • Valodkar, M.1    Modi, S.2    Pal, A.3    Thakore, S.4


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