3D Structure Prediction of Human β1-Adrenergic Receptor via Threading-Based Homology Modeling for Implications in Structure-Based Drug Designing

Zaheer Ul-Haq; Maria Saeed; Sobia Ahsan Halim; Waqasuddin Khan

doi:10.1371/journal.pone.0122223

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Open Access

Peer-reviewed

Research Article

3D Structure Prediction of Human β1-Adrenergic Receptor via Threading-Based Homology Modeling for Implications in Structure-Based Drug Designing

Zaheer Ul-Haq ,

* E-mail: zaheer.qasmi@iccs.edu

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan
⨯
Maria Saeed,

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan
⨯
Sobia Ahsan Halim,

Affiliation National Centre of Excellence in Molecular Biology, University of the Punjab, Lahore, Pakistan
⨯
Waqasuddin Khan

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan
⨯

3D Structure Prediction of Human β1-Adrenergic Receptor via Threading-Based Homology Modeling for Implications in Structure-Based Drug Designing

Zaheer Ul-Haq,
Maria Saeed,
Sobia Ahsan Halim,
Waqasuddin Khan

Published: April 10, 2015
https://doi.org/10.1371/journal.pone.0122223

About the Authors

Zaheer Ul-Haq

* E-mail: zaheer.qasmi@iccs.edu

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan

Maria Saeed

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan

Sobia Ahsan Halim

Affiliation National Centre of Excellence in Molecular Biology, University of the Punjab, Lahore, Pakistan

Waqasuddin Khan

Affiliation Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: ZUH SAH. Performed the experiments: MS WK SAH. Analyzed the data: MS SAH. Contributed reagents/materials/analysis tools: MS WK. Wrote the paper: ZUH MS SAH WK.

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Sequence alignment
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Multiple alignment calculation
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G protein coupled receptors
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Hydrogen bonding
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Salt bridges
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Protein structure
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BLAST algorithm
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Drug interactions
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