引用本文:
刘亮, 王任小, 来鲁华, 李崇熙. 促生长激素释放素三维定量构效关系及药效团模型[J]. 物理化学学报,
1997, 13(12): 1090-1096.
doi:
10.3866/PKU.WHXB19971207
Citation: Liu Liang, Wang Ren-Xiao, Lai Lu-Hua, Li Chong-Xi. 3D-QSAR and Pharmacophore Modeling of Growth Hormone Secreta gues[J]. Acta Physico-Chimica Sinica, 1997, 13(12): 1090-1096. doi: 10.3866/PKU.WHXB19971207
Citation: Liu Liang, Wang Ren-Xiao, Lai Lu-Hua, Li Chong-Xi. 3D-QSAR and Pharmacophore Modeling of Growth Hormone Secreta gues[J]. Acta Physico-Chimica Sinica, 1997, 13(12): 1090-1096. doi: 10.3866/PKU.WHXB19971207
促生长激素释放素三维定量构效关系及药效团模型
English
3D-QSAR and Pharmacophore Modeling of Growth Hormone Secreta gues
Abstract:
Comparative molecular field analysis (CoMFA) was applied to the quantitative structure-activity relationship studies of growth hormone secreta gues. The final model is highly predictive, and the active conformation of this series of compounds was derived based on the model. This speculated active conformation was then imposed on the conformations of two known bioactive peptides by distance-comparision (DISCO) analysis to find a reasonable pharmacophore. It was shown that the amino group on L-692, 429 is a hydrogen bond donor while the tetrazole ring is a hydrogen bond acceptor, and, A ring and C ring are main hydrophobic cores.
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Key words:
-
Growth hormone secreta gue
- / CoMFA
- / DISCO
- / Pharmacophore
- / Peptide mimetics
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