Drug design for the influenza A virus subtype H1N1

Chien Yu Chen; Da Tian Bau; Ming Hsui Tsai; Yuan Man Hsu; Tin Yun Ho; Hung Jin Huang; Yea Huey Chang; Fuu Jen Tsai; Chang Hai Tsai; Calvin Yu Chian Chen

doi:10.1109/BMEI.2009.5305007

Drug design for the influenza A virus subtype H1N1

Chien Yu Chen, Da Tian Bau^*, Ming Hsui Tsai, Yuan Man Hsu, Tin Yun Ho, Hung Jin Huang, Yea Huey Chang, Fuu Jen Tsai, Chang Hai Tsai, Calvin Yu Chian Chen

^*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this fight. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map of N1 contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature .NCI database was screened by this map to find potent inhibitors of N1. Then, those inhibitors were docked into hemagglutinin type 1 to find out the candidate drugs. The candidate drugs selected via computer-aided drug designing program may be very useful in this worldwide disease, and further investigations in its clinical and scientific application are urgently needed.

Original language	English
Title of host publication	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
DOIs	https://doi.org/10.1109/BMEI.2009.5305007
State	Published - 2009
Externally published	Yes
Event	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 - Tianjin, China Duration: 17 10 2009 → 19 10 2009

Publication series

Name	Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Conference

Conference	2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
Country/Territory	China
City	Tianjin
Period	17/10/09 → 19/10/09

Keywords

Docking
Drug design
H1N1
Influenza

Access to Document

10.1109/BMEI.2009.5305007

Cite this

Chen, C. Y., Bau, D. T., Tsai, M. H., Hsu, Y. M., Ho, T. Y., Huang, H. J., Chang, Y. H., Tsai, F. J., Tsai, C. H., & Chen, C. Y. C. (2009). Drug design for the influenza A virus subtype H1N1. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009 Article 5305007 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). https://doi.org/10.1109/BMEI.2009.5305007

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title = "Drug design for the influenza A virus subtype H1N1",

abstract = "In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this fight. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map of N1 contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature .NCI database was screened by this map to find potent inhibitors of N1. Then, those inhibitors were docked into hemagglutinin type 1 to find out the candidate drugs. The candidate drugs selected via computer-aided drug designing program may be very useful in this worldwide disease, and further investigations in its clinical and scientific application are urgently needed.",

keywords = "Docking, Drug design, H1N1, Influenza",

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.2009.5305007",

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",

}

Chen, CY, Bau, DT, Tsai, MH, Hsu, YM, Ho, TY, Huang, HJ, Chang, YH, Tsai, FJ, Tsai, CH & Chen, CYC 2009, Drug design for the influenza A virus subtype H1N1. in Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009., 5305007, Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009, Tianjin, China, 17/10/09. https://doi.org/10.1109/BMEI.2009.5305007

Drug design for the influenza A virus subtype H1N1. / Chen, Chien Yu; Bau, Da Tian; Tsai, Ming Hsui et al.
Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5305007 (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Chen, Chien Yu

AU - Bau, Da Tian

AU - Tsai, Ming Hsui

AU - Hsu, Yuan Man

AU - Ho, Tin Yun

AU - Huang, Hung Jin

AU - Chang, Yea Huey

AU - Tsai, Fuu Jen

AU - Tsai, Chang Hai

AU - Chen, Calvin Yu Chian

PY - 2009

Y1 - 2009

N2 - In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this fight. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map of N1 contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature .NCI database was screened by this map to find potent inhibitors of N1. Then, those inhibitors were docked into hemagglutinin type 1 to find out the candidate drugs. The candidate drugs selected via computer-aided drug designing program may be very useful in this worldwide disease, and further investigations in its clinical and scientific application are urgently needed.

AB - In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this fight. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map of N1 contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature .NCI database was screened by this map to find potent inhibitors of N1. Then, those inhibitors were docked into hemagglutinin type 1 to find out the candidate drugs. The candidate drugs selected via computer-aided drug designing program may be very useful in this worldwide disease, and further investigations in its clinical and scientific application are urgently needed.

KW - Docking

KW - Drug design

KW - H1N1

KW - Influenza

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AN - SCOPUS:74049128033

SN - 9781424441341

T3 - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

BT - Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

T2 - 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009

Y2 - 17 October 2009 through 19 October 2009

ER -

Chen CY, Bau DT, Tsai MH, Hsu YM, Ho TY, Huang HJ et al. Drug design for the influenza A virus subtype H1N1. In Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009. 2009. 5305007. (Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009). doi: 10.1109/BMEI.2009.5305007

Drug design for the influenza A virus subtype H1N1

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