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Original Research

Structure-based virtual screening and molecular docking for the identification of potential multi-targeted inhibitors against breast cancer

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Pages 447-459 | Published online: 14 Jun 2017

References

  • SalomonDSBrandtRCiardielloFNormannoNEpidermal growth factor-related peptides and their receptors in human malignanciesCrit Rev Oncol Hematol19951931832327612182
  • GoldsmithYBRoistacherNBaumMSCapecitabine-induced coronary vasospasmJ Clin Oncol200826223802380418669470
  • DeSantisCMaJBryanLJemalABreast cancer statistics, 2013CA Cancer J Clin2014641526224114568
  • LiCIBeaberEFTangMTPorterPLDalingJRMaloneKEReproductive factors and risk of estrogen receptor positive, triple-negative, and HER2-neu overexpressing breast cancer among women 20-44 years of ageBreast Cancer Res Treat2013137257958723224237
  • AndersonKNSchwabRBMartinezMEReproductive risk factors and breast cancer subtypes: a review of the literatureBreast Cancer Res Treat2014144111024477977
  • AaronsonSAGrowth factors and cancerScience19912545035114611531659742
  • HerbstRSJohnsonDHMininbergEPhase I/II trial evaluating the anti-vascular endothelial growth factor monoclonal antibody bevacizumab in combination with the HER-1/epidermal growth factor receptor tyrosine kinase inhibitor erlotinib for patients with recurrent non-small-cell lung cancerJ Clin Oncol200523112544255515753462
  • DownwardJYardenYMayesEClose similarity of epidermal growth factor receptor and v-erb-B oncogene protein sequencesNature198430759515215276320011
  • SchulzeWXDengLMannMPhosphotyrosine interactome of the ErbB-receptor kinase familyMol Syst Biol200512005.0008
  • WangFWeaverVMPetersenOWReciprocal interactions between beta1-integrin and epidermal growth factor receptor in three-dimensional basement membrane breast cultures: a different perspective in epithelial biologyProc Natl Acad Sci U S A1998952514821148269843973
  • YardenYSchlessingerJEpidermal growth factor induces rapid, reversible aggregation of the purified epidermal growth factor receptorBiochemistry1987265144314513494473
  • LurjeGLenzHJEGFR signaling and drug discoveryOncology200977640041020130423
  • MartinazziMCrivelliFZampattiCMartinazziSRelationships between epidermal growth factor receptor (EGF-R) and other predictors of prognosis in breast carcinomas. An immunohistochemical studyPathologica19938511006376448170712
  • FallonKBPalmerCARothKAPrognostic value of 1p, 19q, 9p, 10q, and EGFR-FISH analyses in recurrent oligodendrogliomasJ Neuropathol Exp Neurol200463431432215099021
  • GiacconeGEpidermal growth factor receptor inhibitors in the treatment of non-small-cell lung cancerJ Clin Oncol200523143235324215886311
  • Al-KurayaKSchramlPTorhorstJPrognostic relevance of gene amplifications and coamplifications in breast cancerCancer Res200464238534854015574759
  • RoJNorthSMGallickGEHortobagyiGNGuttermanJUBlickMAmplified and overexpressed epidermal growth factor receptor gene in uncultured primary human breast carcinomaCancer Res19884811611643334990
  • SpyratosFDelarueJCAndrieuCEpidermal growth factor receptors and prognosis in primary breast cancerBreast Cancer Res Treat199017283892096996
  • YatabeYKosakaTTakahashiTMitsudomiTEGFR mutation is specific for terminal respiratory unit type adenocarcinomaAm J Surg Pathol200529563363915832087
  • WeberFFukinoKSawadaTVariability in organ-specific EGFR mutational spectra in tumour epithelium and stroma may be the biological basis for differential responses to tyrosine kinase inhibitorsBr J Cancer200592101922192615841079
  • CoussensLYang-FengTLLiaoYCTyrosine kinase receptor with extensive homology to EGF receptor shares chromosomal location with neu oncogeneScience19852304730113211392999974
  • KingCRKrausMHAaronsonSAAmplification of a novel v-erbB-related gene in a human mammary carcinomaScience198522947179749762992089
  • HynesNESternDFThe biology of erbB-2/neu/HER-2 and its role in cancerBiochem Biophys Acta199411982–31651847819273
  • KlapperLNKirschbaumMHSelaMYardenYBiochemical and clinical implications of the ErbB/HER signaling network of growth factor receptorsKleinGWoudeVAdvances in Cancer ResearchNew YorkAcademic Press20002579
  • KallioniemiAKallioniemiOPSudarDComparative genomic hybridization for molecular cytogenetic analysis of solid tumorsScience199225850838188211359641
  • SlamonDJClarkGMWongSGLevinWJUllrichAMcGuireWLHuman breast cancer: correlation of relapse and survival with amplification of the HER-2/neu oncogeneScience198723547851771823798106
  • ParkIHRoJLeeKSNamBHKwonYShinKHTrastuzumab treatment beyond brain progression in HER2-positive metastatic breast cancerAnn Oncol2009201566218664558
  • GabosZSinhaRHansonJPrognostic significance of human epidermal growth factor receptor positivity for the development of brain metastasis after newly diagnosed breast cancerJ Clin Oncol200624365658566317102066
  • LindquistSCraigEAThe heat-shock proteinsAnn Rev Genet1988226316772853609
  • BukauBWeissmanJHorwichAMolecular chaperones and protein quality controlCell2006125344345116678092
  • TangDKhalequeMAJonesELExpression of heat shock proteins and heat shock protein messenger ribonucleic acid in human prostate carcinoma in vitro and in tumors in vivoCell Stress Chaperones2005101465815832947
  • JonesSEErbanJOvermoyerBRandomized phase III study of docetaxel compared with paclitaxel in metastatic breast cancerJ Clin Oncol200523245542555116110015
  • GabaiVLMeriinABYaglomJAVollochVZShermanMYRole of Hsp70 in regulation of stress-kinase JNK: implications in apoptosis and agingFEBS Lett19984381–2149821948
  • CalderwoodSKCioccaDRHeat shock proteins: stress proteins with Janus-like properties in cancerInt J Hyperthermia2008241313918214767
  • BeliakoffJWhitesellLHsp90: an emerging target for breast cancer therapyAnticancer Drugs200415765166215269596
  • ConroySELatchmanDSDo heat shock proteins have a role in breast cancer?Br J Cancer19967457177218795573
  • YanoMNaitoZTanakaSAsanoGExpression and roles of heat shock proteins in human breast cancerJpn J Cancer Res19968799089158878452
  • PickEKlugerYGiltnaneJMHigh HSP90 expression is associated with decreased survival in breast cancerCancer Res20076772932293717409397
  • ZagouriFSergentanisTNNonniAHsp90 in the continuum of breast ductal carcinogenesis: evaluation in precursors, preinvasive and ductal carcinoma lesionsBMC Cancer20101035320602789
  • MirzaMUGhoriNUIkramNAdilARManzoorSPharmacoinformatics approach for investigation of alternative potential hepatitis C virus nonstructural protein 5B inhibitorsDrug Des Devel Ther2015918251841
  • MirzaMUIkramNIntegrated computational approach for virtual hit identification against Ebola viral proteins VP35 and VP40Int J Mol Sci20161711 pii: E1748
  • MirzaMURafiqueSAliATowards peptide vaccines against Zika virus: immunoinformatics combined with molecular dynamics simulations to predict antigenic epitopes of Zika viral proteinsSci Rep201663731327934901
  • MirzaMUMirzaAHGhoriNUFerdousSGlycyrrhetinic acid and E.resveratroloside act as potential plant derived compounds against dopamine receptor D3 for Parkinson’s disease: a pharmacoinformatics studyDrug Des Devel Ther20149187198
  • FerdousSMirzaMUSaeedUDocking studies reveal phytochemicals as the long searched anticancer drugs for breast cancerInt J Comp Appl2013672515
  • SehgalSAKhattakNAMirAStructural, phylogenetic and docking studies of D-amino acid oxidase activator (DAOA), a candidate schizophrenia geneTheor Biol Med Model201310323286827
  • SehgalSATahirRAShafiqueSHassanMRashidSMolecular modeling and docking analysis of CYP1A1 associated with head and neck cancer to explore its binding regionsJ Theor Comput Sci201411122
  • AhmedBAli AshfaqUUsman MirzaMMedicinal plant phytochemicals and their inhibitory activities against pancreatic lipase: molecular docking combined with molecular dynamics simulation approachNat Prod Res Epub2017426
  • TrottOOlsonAJAutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreadingJ Comput Chem201031245546119499576
  • DundasJOuyangZTsengJBinkowskiATurpazYLiangJCASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residuesNucleic Acids Res200634Web Server issueW116W11816844972
  • PettersenEFGoddardTDHuangCCUCSF Chimera–a visualization system for exploratory research and analysisJ Comput Chem200425131605161215264254
  • Accelrys Software IncDiscovery Studio Modeling Environment (release 4.0)San Diego, CAAccelrys Software Inc.2013
  • KissRSandorMSzalaiFAhttp://Mcule.com:a public web service for drugDrug Discov20124117
  • MoroyGMartinyVYVayerPVilloutreixBOMitevaMAToward in silico structure-based ADMET prediction in drug discoveryDrug Discov Today2012171–2445522056716
  • OldendorfWHLipid solubility and drug penetration of the blood brain barrierProc Soc Exp Biol Med197414738138154445171
  • EganWJMerzKMJrBaldwinJJPrediction of drug absorption using multivariate statisticsJ Med Chem200043213867387711052792
  • ChengAMerzKMJrPrediction of aqueous solubility of a diverse set of compounds using quantitative structure-property relationshipsJ Med Chem200346173572358012904062
  • SusnowRGDixonSLUse of robust classification techniques for the prediction of human cytochrome P450 2D6 inhibitionJ Chem Inf Comput Sci20034341308131512870924
  • BoyerSArnbyCHCarlssonLSmithJSteinVGlenRCReaction site mapping of xenobiotic biotransformationsJ Chem Inf Model200747258359017302400