Targeting Val 216 in Class A β-Lactamases with Tricyclic 6-Methylidene Penems
New interactions of β‐lactamases inhibitors: Using computational methods, tricyclic 6‐methylidene penems 9 a–e were designed based on of their 1,4 dihydrothiazepines rearrangement products as potent and broad spectrum inhibitors of β‐lactamases. Both dihydrothiazepines 23 and 24 were found to form a...
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| Veröffentlicht in: | ChemMedChem 2008-11, Vol.3 (11), p.1658-1661 |
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| container_issue | 11 |
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| container_title | ChemMedChem |
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| creator | Venkatesan, Aranapakam Agarwal, Atul Abe, Takao Ushirogochi, Hideki Takasaki, Tsuyoshi Mihira, Ado Mansour, Tarek S. |
| description | New interactions of β‐lactamases inhibitors: Using computational methods, tricyclic 6‐methylidene penems 9 a–e were designed based on of their 1,4 dihydrothiazepines rearrangement products as potent and broad spectrum inhibitors of β‐lactamases. Both dihydrothiazepines 23 and 24 were found to form a new interaction with Val 216 in SHV‐1, which was not predicted based on initial docking studies. |
| doi_str_mv | 10.1002/cmdc.200800167 |
| format | Article |
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| fulltext | fulltext |
| identifier | ISSN: 1860-7179 |
| ispartof | ChemMedChem, 2008-11, Vol.3 (11), p.1658-1661 |
| issn | 1860-7179 1860-7187 |
| language | eng |
| recordid | cdi_crossref_primary_10_1002_cmdc_200800167 |
| source | MEDLINE; Wiley Online Library Journals Frontfile Complete |
| subjects | 6-methylidene penems Antidepressive Agents, Tricyclic - chemical synthesis Antidepressive Agents, Tricyclic - chemistry beta-Lactamases - chemistry beta-Lactamases - metabolism Catalytic Domain Chemistry, Pharmaceutical - methods Drug Design Hydrogen - chemistry Hydrolysis inhibitors Inhibitory Concentration 50 Models, Chemical Models, Molecular Molecular Conformation molecular modeling Software stacking interactions Thiazepines - chemistry Valine - chemistry β-lactamases |
| title | Targeting Val 216 in Class A β-Lactamases with Tricyclic 6-Methylidene Penems |
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