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Cover Image, Volume 34, Issue 9
Publication year - 2013
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23268
Subject(s) - dna gyrase , in silico , cover (algebra) , citation , computer science , topoisomerase , class (philosophy) , computational biology , cover story , dna , information retrieval , world wide web , chemistry , artificial intelligence , biology , biochemistry , escherichia coli , engineering , mechanical engineering , gene
The rapid development of drug resistance in microbes, the toxicity, and side effects of existing anti‐infectious drugs are factors stimulating the effort directed toward a new generation of antibiotics. On page 790 , Nikola Minovski, Andrej Perdih, Marjana Novic, and Tom Solmajer demonstrate how carefully validated in silico models using the recently determined structures of M. tuberculosis ‐ DNA gyrase apoprotein and topoisomerase II‐DNA‐6‐fluoroquinolones complexes are proficiently used for defining the drugs' binding pockets and the subsequent design of a series of novel inhibitors of DNA gyrase from the class of substituted 6‐fluoroquinolones (shown on the cover).