Detalhe da pesquisa
1.
In Silico Discovery of a Substituted 6-Methoxy-quinalidine with Leishmanicidal Activity in Leishmania infantum.
Molecules
; 23(4)2018 Mar 27.
Artigo
Inglês
| MEDLINE | ID: mdl-29584709
2.
Furan-based benzene mono- and dicarboxylic acid derivatives as multiple inhibitors of the bacterial Mur ligases (MurC-MurF): experimental and computational characterization.
J Comput Aided Mol Des
; 29(6): 541-60, 2015 Jun.
Artigo
Inglês
| MEDLINE | ID: mdl-25851408
3.
4,6-Substituted-1,3,5-triazin-2(1H)-ones as monocyclic catalytic inhibitors of human DNA topoisomerase IIα targeting the ATP binding site.
Bioorg Med Chem
; 23(15): 4218-4229, 2015 Aug 01.
Artigo
Inglês
| MEDLINE | ID: mdl-26183545
4.
Structural elucidation of transmembrane transporter protein bilitranslocase: conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy.
Biochim Biophys Acta
; 1828(11): 2609-19, 2013 Nov.
Artigo
Inglês
| MEDLINE | ID: mdl-23774522
5.
Monocyclic 4-amino-6-(phenylamino)-1,3,5-triazines as inhibitors of human DNA topoisomerase IIα.
Bioorg Med Chem Lett
; 24(24): 5762-5768, 2014 Dec 15.
Artigo
Inglês
| MEDLINE | ID: mdl-25453816
6.
Inhibitor design strategy based on an enzyme structural flexibility: a case of bacterial MurD ligase.
J Chem Inf Model
; 54(5): 1451-66, 2014 May 27.
Artigo
Inglês
| MEDLINE | ID: mdl-24724969
7.
Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).
Bioorg Med Chem
; 22(15): 4124-34, 2014 Aug 01.
Artigo
Inglês
| MEDLINE | ID: mdl-24953950
8.
Cluster-based molecular docking study for in silico identification of novel 6-fluoroquinolones as potential inhibitors against Mycobacterium tuberculosis.
J Comput Chem
; 34(9): 790-801, 2013 Apr 05.
Artigo
Inglês
| MEDLINE | ID: mdl-23280926
9.
Molecular dynamics simulation and linear interaction energy study of D-Glu-based inhibitors of the MurD ligase.
J Comput Aided Mol Des
; 27(8): 723-38, 2013 Aug.
Artigo
Inglês
| MEDLINE | ID: mdl-23990043
10.
In silico discovery and biophysical evaluation of novel 5-(2-hydroxybenzylidene) rhodanine inhibitors of DNA gyrase B.
Bioorg Med Chem
; 20(8): 2572-80, 2012 Apr 15.
Artigo
Inglês
| MEDLINE | ID: mdl-22444877
11.
Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity.
Bioorg Med Chem
; 20(17): 5220-8, 2012 Sep 01.
Artigo
Inglês
| MEDLINE | ID: mdl-22841617
12.
Quantitative structure-activity relationship study of antitubercular fluoroquinolones.
Mol Divers
; 15(2): 417-26, 2011 May.
Artigo
Inglês
| MEDLINE | ID: mdl-20229318
13.
In silico discovery of 2-amino-4-(2,4-dihydroxyphenyl)thiazoles as novel inhibitors of DNA gyrase B.
Bioorg Med Chem Lett
; 20(3): 958-62, 2010 Feb 01.
Artigo
Inglês
| MEDLINE | ID: mdl-20045642
14.
Chemometrical Exploration of Combinatorially Generated Drug-like Space of 6-fluoroquinolone Analogs: A QSAR Study.
Acta Chim Slov
; 57(3): 529-40, 2010 Sep.
Artigo
Inglês
| MEDLINE | ID: mdl-24061797
15.
MurD ligase from E. coli: Tetrahedral intermediate formation study by hybrid quantum mechanical/molecular mechanical replica path method.
Proteins
; 74(3): 744-59, 2009 Feb 15.
Artigo
Inglês
| MEDLINE | ID: mdl-18704940
16.
Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach.
Bioorg Med Chem Lett
; 19(10): 2668-73, 2009 May 15.
Artigo
Inglês
| MEDLINE | ID: mdl-19369074
17.
Structural and functional characterization of enantiomeric glutamic acid derivatives as potential transition state analogue inhibitors of MurD ligase.
J Mol Biol
; 370(1): 107-15, 2007 Jun 29.
Artigo
Inglês
| MEDLINE | ID: mdl-17507028
18.
Targeted molecular dynamics simulation studies of binding and conformational changes in E. coli MurD.
Proteins
; 68(1): 243-54, 2007 Jul 01.
Artigo
Inglês
| MEDLINE | ID: mdl-17427948
19.
Discovery and development of ATPase inhibitors of DNA gyrase as antibacterial agents.
Curr Med Chem
; 14(19): 2033-47, 2007.
Artigo
Inglês
| MEDLINE | ID: mdl-17691945
20.
4-Substituted trinems as broad spectrum beta-lactamase inhibitors: structure-based design, synthesis, and biological activity.
J Med Chem
; 50(17): 4113-21, 2007 Aug 23.
Artigo
Inglês
| MEDLINE | ID: mdl-17665896