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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 shu

3D-QSAR and Pharmacophore Modeling of Growth Hormone Secreta gues

1.
College of Chemistry and Molecular Engineering,Peking University,Beijing 100871

Received Date: 18 March 1997
Available Online: 15 December 1997

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.
- Growth hormone secreta gue,
- CoMFA,
- DISCO,
- Pharmacophore,
- Peptide mimetics
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