114
Views
12
CrossRef citations to date
0
Altmetric
Original Research

Development of novel HER2 inhibitors against gastric cancer derived from flavonoid source of Syzygium alternifolium through molecular dynamics and pharmacophore-based screening

, , , , &
Pages 3611-3632 | Published online: 04 Nov 2016

References

  • ParkinDMBrayFFerlayJPisaniPGlobal cancer statistics, 2002CA Cancer J Clin20055527410815761078
  • CrewKDNeugutAIEpidemiology of gastric cancerWorld J Gastroenterol200612335436216489633
  • ArakAKullKFactors influencing survival of patients after radical surgery for gastric cancer. A regional study of 406 patients over a 10-year periodAnn Oncol1994338913920
  • CunninghamDAllumWHStenningSPPerioperative chemotherapy versus surgery alone for respectable gastroesophageal cancerN Engl J Med20063551112016822992
  • SikoraKPersonalized cancer therapy-the key to the futurePharmacogenomics20045422522815102537
  • WangXYanSKDaiWXLiuXRZhangWDWangJJA metabolomics approach to chemosensitivity prediction of cisplatin plus 5-fluorouracil in a human xenograft model of gastric cancerInt J Cancer2010127122841285021351263
  • BangYJvan CutsemEFeyereislovaATrastuzumab in combination with chemotheraphy versus chemotheraphy alone for treatment of Her2-positive advanced gastric or gastric or gastro-oesophageal junction cancer (ToGA): a phase 3, open-label, randomized controlled trailLancet2010376974268769720728210
  • HynesNEInghamPWLimWAMarshallCJMassaguéJPawsonTSignalling change: signal transduction through the decadesNat Rev Mol Cell Biol201314639339823636498
  • CidonEUEllisSGInamYAdelekeSZarifSGeldartTMolecular targeted agents for gastric cancer: a step forward towards personalized therapyCancers201351649124216699
  • GarciaFVizosoAMartinLClinical significance of the epidermal growth factor receptor and HER2 receptor in resectable gastric cancerAnn Surg Oncol200310323424112679307
  • HayashiMInokuchiMTakagiYHigh expression of HER3 is associated with a decreased survival in gastric cancerClin Cancer Res200814237843784919047113
  • BurgessAWChoHSEigenbrotCAn open-and-shut case? Recent insights into the activation of EGF/ErbB receptorsMol Cell200312354155214527402
  • RiquelmeISaavedraKEspinozaJAMolecular classification of gastric cancer: towards a pathway-driven targeted therapyOncotarget2015628247502477926267324
  • QiFLiAInagakiYChinese herbal medicines as adjuvant treatment during chemo-or radio-therapy for cancerBiosci Trends20104629730721248427
  • KasettiRBNabiSASwapnaSApparaoCCinnamic acid as one of the antidiabetic active principle(s) from the seeds of Syzygium alternifoliumFood Chem Toxicol20125051425143122342809
  • DeviSAnsariSAVadiveluJMégraudFTenguriaSAhmedNHelicobacter pylori antigen HP0986 (TieA) interacts with cultured gastric epithelial cells and induces IL8 secretion via NF-κB mediated pathwayHelicobacter2014191263624205801
  • BaiYZhaoFLiYWangLFangXJWangCYGinkgo biloba extract induce cell apoptosis and G0/G1 cycle arrest in gastric cancer cellsInt J Clin Exp Med2015811209772098226885028
  • MosmannTRapid colorimetric assay for cellular growth and survival: application to proliferation cytotoxicity assaysJ Immunol Methods1983651–255636606682
  • PozarowskiPDarzynkiewiczZAnalysis of cell cycle by flow cytometryMethods Mol Biol200428130131115220539
  • MOE. 2011Molecular Operating Environment 2011.10Chemical Computing Group IncMontreal, QC, Canada
  • LabutePThe generalized born/volume integral (GB/VI) implicit solvent model: estimation of free energy of hydration using London dispersion instead of atomic surface areaJ Comput Chem200829101693169818307169
  • YangSPharmacophore modeling and applications in drug discovery: challenges and recent advancesDrug Discov Today20101511–1244445020362693
  • BerendsenHJCvan der SpoelDvan DrunenRGROMACS: a message-passing parallel molecular dynamics implementationComput Phys Commun1995911–34356
  • Lindorff-LarsenKPianaSPalmoKImproved side-chain torsion potentials for the Amber ff99SB protein force fieldProteins20107881950195820408171
  • SchüttelkopfAWvan AaltenDMFPRODRG: a tool for high-throughput crystallography of protein-ligand complexesActa Crystallogr D Biol Crystallogr200460Pt 81355136315272157
  • BerendsenHJCGrigeraJRStraatsmaTPThe missing term in effective pair potentialsJ Phys Chem1987912462696271
  • BerendsenHJCPostmaJPMVan GunsterenWFDinolaAHaakJRMolecular dynamics with coupling to an external bathJ Chem Phys198481836843690
  • ParrinelloMRahmanAPolymorphic transitions in single crystals: a new molecular dynamics methodJ Appl Phys1981521271827190
  • LipinskiCALomdardoFDominyBWFeeneeyPJExperimental and computational approaches to estimate solubility and permeability in drug discovery and development settingAdv Drug Deliv Rev1997231–3325
  • AertgeertsKSkeneRYanoJStructural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 proteinJ Biol Chem201128621187561876521454582
  • SaliABlundellTLComparative protein modeling by satisfaction of spatial restraintsJ Mol Biol199323437798158254673
  • KabschWSanderCDictionary of protein secondary structure pattern recognition hydrogen-bonded geometrical lecturesBiopolymers19832212257726376667333
  • LobanowMBogatyrevNSGalzitskaiaOVRadius of gyration is an indicator of compactness of protein structureMol Biol (Mosk)200842470170618856071
  • DurhamEDorrBWoetzelNStaritzbichlerRMeilerJSolvent accessible surface area approximations for rapid and accurate protein structure predictionJ Mol Model20091591093110819234730
  • IshikawaTSetoMBannoHDesign and synthesis of novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors bearing a pyrrolo [3,2-d] pyrimidine scaffoldJ Med Chem201154238030805022003817