TY - GEN
T1 - Screening human epidermal growth factor receptor-2 inhibitors from natural products
AU - Liu, Xiujie
AU - Jia, Shaohua
AU - Dai, Rongji
AU - Deng, Yulin
AU - Lv, Fang
PY - 2013
Y1 - 2013
N2 - Using the technology of molecular docking, the inhibitor structural features of human epidermal growth factor receptor-2 were studied by screening human epidermal growth factor receptor-2 inhibitors from natural products databases. DS virtual screening systems had been established. The extracellular region and kinase domain of HER2 were selected as target protein. Different conformations, interaction forces formed and important amino acids were discussed in the docking process. The result indicated that the extracellular region of HER2 was prone to combine steroids with oligosaccharide chain and the kinase domain of HER2 easily combined compounds with more oxygen atoms and unsaturated bond.
AB - Using the technology of molecular docking, the inhibitor structural features of human epidermal growth factor receptor-2 were studied by screening human epidermal growth factor receptor-2 inhibitors from natural products databases. DS virtual screening systems had been established. The extracellular region and kinase domain of HER2 were selected as target protein. Different conformations, interaction forces formed and important amino acids were discussed in the docking process. The result indicated that the extracellular region of HER2 was prone to combine steroids with oligosaccharide chain and the kinase domain of HER2 easily combined compounds with more oxygen atoms and unsaturated bond.
KW - Human epidermal growth factor receptor-2
KW - Molecular docking
KW - Natural products database
UR - http://www.scopus.com/inward/record.url?scp=84881499468&partnerID=8YFLogxK
U2 - 10.1109/ICCME.2013.6548299
DO - 10.1109/ICCME.2013.6548299
M3 - Conference contribution
AN - SCOPUS:84881499468
SN - 9781467329699
T3 - 2013 ICME International Conference on Complex Medical Engineering, CME 2013
SP - 497
EP - 500
BT - 2013 ICME International Conference on Complex Medical Engineering, CME 2013
T2 - 2013 7th ICME International Conference on Complex Medical Engineering, CME 2013
Y2 - 25 May 2013 through 28 May 2013
ER -