3D QSAR of novel estrogen–RGD peptide conjugates: Getting insight into structural dependence of anti-osteoporosis activity and side effect of estrogen in ERT

M Zhao, J Liu, X Zhang, L Peng, C Li, S Peng

Index: Zhao, Ming; Liu, Jiangyuan; Zhang, Xiaoyi; Peng, Li; Li, Chunyu; Peng, Shiqi Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 10 p. 3680 - 3689

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Citation Number: 10

Abstract

To explore the structural dependence of the oral potency and side effect of estrogen–RGD peptide conjugates, here six novel conjugates were prepared via introducing RGD- tetrapeptides into both 3-and 17-positions of estradiol, and introducing RGD-octapeptides into 3-position of estrone. In an ovariectomized mouse model they exhibited higher anti- osteoporosis activity and lower side effect than estrogen. For 3D QSAR analysis the anti- ...