Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors
The molecular vibration-activity relationship in the receptor-ligand interaction of adenosine receptors was investigated by structure similarity, molecular vibration, and hierarchical clustering in a dataset of 46 ligands of adenosine receptors. The resulting dendrogram was compared with those of an...
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| Format: | Article |
| Language: | English |
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BioMed Central
2013-12-01
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| Series: | Genomics & Informatics |
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| Online Access: | http://genominfo.org/upload/pdf/gni-11-282.pdf |
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| _version_ | 1832572793708871680 |
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| author | Hyun Keun Chee S. June Oh |
| author_facet | Hyun Keun Chee S. June Oh |
| author_sort | Hyun Keun Chee |
| collection | DOAJ |
| description | The molecular vibration-activity relationship in the receptor-ligand interaction of adenosine receptors was investigated by structure similarity, molecular vibration, and hierarchical clustering in a dataset of 46 ligands of adenosine receptors. The resulting dendrogram was compared with those of another kind of fingerprint or descriptor. The dendrogram result produced by corralled intensity of molecular vibrational frequency outperformed four other analyses in the current study of adenosine receptor agonism and antagonism. The tree that was produced by clustering analysis of molecular vibration patterns showed its potential for the functional classification of adenosine receptor ligands. |
| format | Article |
| id | doaj-art-2277ba2213204926a328cd7e98e2c077 |
| institution | Kabale University |
| issn | 1598-866X 2234-0742 |
| language | English |
| publishDate | 2013-12-01 |
| publisher | BioMed Central |
| record_format | Article |
| series | Genomics & Informatics |
| spelling | doaj-art-2277ba2213204926a328cd7e98e2c0772025-02-02T07:15:18ZengBioMed CentralGenomics & Informatics1598-866X2234-07422013-12-0111428228810.5808/GI.2013.11.4.28271Molecular Vibration-Activity Relationship in the Agonism of Adenosine ReceptorsHyun Keun Chee0S. June Oh1Department of Thoracic and Cardiovascular Surgery, Konkuk University Medical Center, Konkuk University School of Medicine, Seoul 143-729, Korea.Department of Pharmacology, Inje University College of Medicine, Busan 614-735, Korea.The molecular vibration-activity relationship in the receptor-ligand interaction of adenosine receptors was investigated by structure similarity, molecular vibration, and hierarchical clustering in a dataset of 46 ligands of adenosine receptors. The resulting dendrogram was compared with those of another kind of fingerprint or descriptor. The dendrogram result produced by corralled intensity of molecular vibrational frequency outperformed four other analyses in the current study of adenosine receptor agonism and antagonism. The tree that was produced by clustering analysis of molecular vibration patterns showed its potential for the functional classification of adenosine receptor ligands.http://genominfo.org/upload/pdf/gni-11-282.pdfcorralled intensity of molecular vibrational frequencyG-protein-coupled receptorsmolecular descriptormolecular vibration-activity relationshippurinergic P1 receptors |
| spellingShingle | Hyun Keun Chee S. June Oh Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors Genomics & Informatics corralled intensity of molecular vibrational frequency G-protein-coupled receptors molecular descriptor molecular vibration-activity relationship purinergic P1 receptors |
| title | Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors |
| title_full | Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors |
| title_fullStr | Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors |
| title_full_unstemmed | Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors |
| title_short | Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors |
| title_sort | molecular vibration activity relationship in the agonism of adenosine receptors |
| topic | corralled intensity of molecular vibrational frequency G-protein-coupled receptors molecular descriptor molecular vibration-activity relationship purinergic P1 receptors |
| url | http://genominfo.org/upload/pdf/gni-11-282.pdf |
| work_keys_str_mv | AT hyunkeunchee molecularvibrationactivityrelationshipintheagonismofadenosinereceptors AT sjuneoh molecularvibrationactivityrelationshipintheagonismofadenosinereceptors |