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Targeting Val 216 in Class A β‐Lactamases with Tricyclic 6‐Methylidene Penems
Author(s) -
Venkatesan Aranapakam,
Agarwal Atul,
Abe Takao,
Ushirogochi Hideki,
Takasaki Tsuyoshi,
Mihira Ado,
Mansour Tarek S.
Publication year - 2008
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200800167
Subject(s) - tricyclic , docking (animal) , broad spectrum , stereochemistry , chemistry , combinatorial chemistry , medicine , nursing
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.