@inproceedings{d48e60da15a447329e7d7b1323951ac5,
title = "Is that possible to design the versatile inhibitors for H1N1, H5N1, H5N2, and H5N7?",
abstract = "In this study, a QSAR model of neuraminidase (NA) type 1 (N1) was elevated. This map contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature. In the second step, we created the interaction maps in the active sites on the neuraminidase type2, and type7 (N2 and N7) protein structures. The structure-based pharmacophore map was showed the features on every amino acid in the active site on the protein structure. The third step was pharmacophore comparison, root-mean-squared error (RMSE) was reported for the matching pharmacophore features. The result showed that the maps of N1, N2, and N7 had subtle differences in distances of each features. We created the combined map for N1, N2, and N7 to resolving the difference in the three NA types. The combined map was employed to NCI database screening, then, the potent versatile inhibitors were elevated in the results.",
keywords = "Docking, Drug design, Influenza, Pharmacophore",
author = "Chen, {Chien Yu} and Bau, {Da Tian} and Tsai, {Ming Hsui} and Hsu, {Yuan Man} and Ho, {Tin Yun} and Huang, {Hung Jin} and Chang, {Yea Huey} and Tsai, {Fuu Jen} and Tsai, {Chang Hai} and Chen, {Calvin Yu Chian}",
year = "2009",
doi = "10.1109/BMEI.2009.5305805",
language = "英语",
isbn = "9781424441341",
series = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",
booktitle = "Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009",
note = "2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 ; Conference date: 17-10-2009 Through 19-10-2009",
}