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Perspectives

Solvent effects on structural and thermochemical properties of p53 tumor-suppressor gene: a molecular modeling approach in drug design

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Pages 2063-2069 | Published online: 20 Sep 2011

References

  • DongMNioYYamasawaKTogaTYueLHaradaTp53 alteration is not an independent prognostic indicator, but affects the efficacy of adjuvant chemotherapy in human pancreatic cancerJ Surg Oncol20038211112012561067
  • IraniSMonajjemiMHonarparvarBAtyabiSMSadeghizadehMInvestigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug designInt J Nanomedicine2011621321821499418
  • RiahiSGanjaliMRBagheriMTheoretical investigation of interaction between Gatifloxacin and DNA: implications for anticancer drug designMat Sci Engineer C20092918081813
  • FeiPBernhardEJEl-DeiryWSTissue-specific induction of p53 targets in vivoCancer Res2002627316732712499275
  • SherrCJPrinciples of tumor suppressionCell200411623524614744434
  • MessiasACSattlerMStructural basis of single-stranded RNA recognitionAcc Chem Res20043727928715147168
  • BrameldKDasguptaSGoddardWADistance dependent hydrogen bond potentials for nucleic acid base pairs from ab initio quantum mechanical calculations (LMP2/cc-pVTZ)J Phys Chem B199710148514859
  • KalidOBen-TalNStudy of MDM2 binding to p53-analogues: affinity, helicity, and applicability to drug designJ Chem Inf Model20094986587619323449
  • ShihCTRocheSRomerRAPoint-mutation effects on charge-transport properties of the tumor-suppressor gene p53Phys Rev Lett200810001810518232825
  • KurinovichMALeeJKThe acidity of uracil from the gas phase to solution: the coalescence of the N1 and N3 sites and implications for biological glycosylationJ Am Chem Soc200012262586262
  • HocquetAGhomiMThe peculiar role of cytosine in nucleoside conformational behaviour: hydrogen bond donor capacity of nucleic basesPhys Chem Chem Phys200025351
  • PodolyanYGorbLLeszczynskiJProtonation of nucleic acid bases: a comprehensive post-Hartree–Fock study of the energetics and proton affinitiesJ Phys Chem A200010473467352
  • MillerTMAronoldSTViggianoAAStevens MillerAEAcidity of a nucleobase: uracilJ Phys Chem A200410834393446
  • ChandraAKNguyenMTHuyskensTZTheoretical study of the interaction between thymine and water: protonation and deprotonation enthalpies and comparison with uracilJ Phys Chem A199810260106016
  • BeveridgeDLMcConnellKJNucleic acids: theory and computer simulation, Y2KCurr Opin Struct Biol20001018219610753816
  • YansonIKTeplitskyABSukhodubLFExperimental studies of molecular interactions between nitrogen bases of nucleic acidsBiopolymers19791811491170435611
  • CornellWDCieplakPBaylyCIA second generation force field for the simulation of proteins, nucleic acids, and organic moleculesJ Am Chem Soc199511751795197
  • KupkaTKolaskiMPasternaGRuudKTowards more reliable prediction of formaldehyde multinuclear NMR parameters and harmonic vibrations in the gas phase and solutionJ Mol Struct19994676378
  • AuffingerPHashemYNucleic acid solvation: from outside to insightCurr Opin Struct Biol20071732533317574833
  • XuLDingYTengQTheoretical research on effects of substituents and the solvent on quadruple hydrogen bonded complexesBull Chem Soc Ethiop200721419426
  • LeppertJHeiseBRamachandranR15N chemical shift tensor magnitude and orientation in the molecular frame of uracil determined via MAS NMRJ Magn Reson200014530731410910699
  • DiosACOldfieldERecent progress in understanding chemical shiftsSolid State Nucl Magn Reson199661011258784950
  • MonajjemiMHaddadiAHonarparvarBIraniSMollaaminFTahanANMR and solvent effect study on the thymine-adenine-thymine sequence: a theoretical investigation on the chemical behavior of nucleotides in solutionEgypt J Biochem Mol Biol20082683100
  • PeculMSadlejJ15N chemical shift tensor magnitude and orientation in the molecular frame of uracil determined via MAS NMRJ Chem Phys1998234111119
  • DiezNMSenentMLGarciaBAb initio study of solvent effects on the acetohydroxamic acid deprotonation processesJ Chem Phys2006324350358
  • AutschbachJThe calculation of NMR parameters in transition metal complexesKaltsoyannisNMcGradyJEPrinciples and Applications of Density Functional Theory in Inorganic Chemistry I, vol 112, Structure and BondingHeidelberg, GermanySpringer Verlag2004148
  • FrischMJTrucksGWSchlegelHBScuseriaGERobbMAGaussian 98, Revision A7Gaussian, IncPittsburgh, PA1998
  • GaigeotMPSprikMAb initio molecular dynamics computation of the infrared spectrum of aqueous uracilJ Phys Chem B200310710344
  • NguyenMTZhangRBNamPCCeulemansASinglet-triplet energy gaps of gas phase RNA and DNA bases: a quantum chemical studyJ Phys Chem A200410865546561
  • ZhangRBCeulemansANguyenMTA theoretical study of uracil and its tautomers in their lowest-lying triplet stateMol Phys2005103983994
  • ZhangRHuyskensdTZCeulemeansANguyenMTInteraction of triplet uracil and thymine with waterJ Chem Phys20053163544
  • ShishkinOVGorbLLeszczynskiJModeling of the first hydration shell of uracil and thymineInt J Mol Sci2000117
  • KimSWheelerSESchaeferHFMicrosolvation effects on the electron capturing ability of thymine: thymine-water complexesJ Chem Phys2006124204310