References
- Macheboeuf , P. , Guilmi , A.M.D. , Job , V. , Vernet , T. , Dideberg , O. and Dessen , A. 2005 . Active site restructuring regulates ligand recognition in class a penicillin-binding proteins . Proc. Natl. Acad. Sci. , 102 : 577
- Anderson , J.S. , Meadow , P.M. , Haskin , M.A. and Strominger , J.L. 1996 . Biosynthesis of the peptidoglycan of bacterial cell walls . Arch. Biochem. Biophys. , 116 : 487
- Ramesh , K.J. , Sunita , M. and Sousa , D. 2006 . Microplate assay for inhibitors of the transpeptidase activity of PBP1b of Escherichia coli . J. Biomol. Screen , 11 : 1005
- Ostash , B. and Walker , S. 2005 . Bacterial transglycosylase inhibitors . Curr. Opin. Chem. Biol. , 9 : 459
- Lovering , A.L. , Castro , L.D. , Lim , D. and Strydnadka , N.V. 2007 . A new target for antibiotic development . Science , 315 : 1373
- Lovering , A.L. , Castro , L.D. , Lim , D. , Natalie , C. and Strynadka , J. 2007 . Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis . Science , 315 : 1402
- Goldma , R.C. and Gange , D. 2000 . Inhibition of transglycosylation involved in bacterial peptidoglycan synthesis . Curr. Med. Chem. , 7 : 801
- Jain , A.N. 2004 . Virtual screening in lead discovery and optimisation . Curr. Opin. Drug Discov. Devel. , 7 : 396
- Brooijmans , N. and Kuntz , I.D. 2003 . Molecular recognition and docking algorithms . Rev. Biophys. Biomol. Struct. , 32 : 335
- Barril , X. , Hubbard , R.E. and Morley , S.D. 2004 . Virtual screening in structure-based drug discovery . Mini. Rev. Med. Chem. , 4 : 779
- Shoichet , B.K. 2004 . Virtual screening of chemical libraries . Nature , 432 : 862
- Wishart , D.S. , Knox , C. , Guo , A. , Shrivastava , S. Hassanali , M. 2006 . DrugBank: A comprehensive resource for in silico drug discovery and exploration . Nucleic Acids Res. , 34 : 668
- Lipinski , C.A. , Lombardo , F. , Dominy , B.W. and Feeney , P.J. 2001 . Experimental and computational approaches to estimate solubility and permeability in drug discovery and developmental settings . Adv. Drug Deliv. Rev. , 46 : 3
- Walters , W.P. and Murcko , M.A. 2002 . Prediction of ‘drug-likeness’ . Adv. Drug Deliv. Rev. , 54 : 255
- Hindle , S. , Rarey , M. , Buning , C. and Lengauer , T. 2002 . Flexible docking under pharmacophore type constraints . J. Comput. Aided Mol. Design , 16 : 129
- Jain , A.N. 2003 . Surflex: Fully automatic flexible molecular docking using a molecular similarity-based search engine . J. Med. Chem. , 46 : 499
- Kellenberger , E. , Rodrigo , J. , Muller , P. and Rognan , D. 2004 . Comparative evaluation of eight docking tools for docking and virtual screening accuracy . Proteins , 57 : 225
- Miteva , M.A. , Lee , W.H. , Montes , M.O. and Villoutreix , B.O. 2005 . Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex . J. Med. Chem. , 48 : 6012
- Welch , W. , Ruppert , J. and Jain , A.N. 1996 . Hammerhead: Fast, fully automated docking of flexible ligands to protein binding sites . Chem. Biol. , 3 : 449
- Welzel , P. , Kunisch , F. , Kruggel , F. , Stein , H. and Scherkenbeck , J. 1987 . Moenomycin A: minimum structural requirements for biological activity . J. Tetrahedron , 43 : 585
- Abadla , N. , Lampilas , M. , Hennig , L. , Findeisen , M. Welzel , P. 1999 . Moenomycin A: The role of the methyl group in the moenuronamide unit and a general discussion of structure–activity relationships . Tetrahedron , 55 : 699
- Kurz , M. , Guba , W. and Vertesy , L. 1998 . Three-dimensional structure of moenomycin A. A potent inhibitor of penicillin-binding protein1b . Eur. J. Biochem. , 252 : 500
- Gohlke , H. , Hendlich , M. and Klebe , G. 2000 . Knowledge-based scoring function to predict protein-ligand interactions . J. Mol. Biol. , 295 : 337
- Klebe , G. 2000 . Predicting binding modes, binding affinities and ‘hot spots’ for protein–ligand complexes using a knowledge-based scoring function . Persp. Drug Discov. Design. , 20 : 115
- Hetenyi , C. and van der Spoel , D. 2002 . Efficient docking of peptides to proteins without prior knowledge of the binding site . Protein Sci. , 11 : 1729
- Hetenyi , C. , Maran , U. and Karelson , M. 2003 . A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins . J. Chem. Inf. Comput. Sci. , 43 : 1576
- Baizman , E.R. , Branstrom , A.A. , Longley , C.B. , Allanson , N. Sofia , M.J. 2000 . Antibacterial activity of synthetic analogues based on the disaccharide structure of moenomycin, an inhibitor of bacterial transglycosylase . Microbiology , 146 : 3129
- Vogel , S. , Stembera , K. , Henig , L. , Findeisen , M. Gieesa , S. 2001 . Moemomycin analogues with long-chain amine lipid parts from reductive aminations . Tetrahedron , 57 : 4147
- Goldman , R.C. , Baizman , E.R. , Branstrom , A.A. and Longley , C.B. 2000 . Differential antibacterial activity of moenomycin analogues on gram-positive bacteria . Bioorg. Med. Chem. Lett. , 10 : 2251
- Claussen , H. , Gastreich , M. , Apelt , V. , Greene , J. , Sally , A. Hindle . 2004 . The flexx database docking environment-rational extraction of receptor based pharmacophores . Curr. Drug Discov. Technol. , 1 : 49