Pharmacophore identification of alpha(1A)-adrenoceptor antagonists |
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Authors: | Li Min-Yong Tsai Keng-Chang Xia Lin |
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Institution: | Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China. |
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Abstract: | A chemical feature based pharmacophore model was developed for alpha(1A)-adrenoceptor antagonists by HypoGen module implemented in catalyst software package. The best scoring pharmacophore hypothesis, Hypo1, consisted of four important chemical features (one positive ion, one hydrogen-bond donor, one aromatic ring, and one hydrophobic group). The results of our study provide a valuable tool in designing new leads with desired biological activity by virtual screening. |
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