Improvement of the novel inhibitor for Mycobacterium enoyl-acyl carrier protein reductase (InhA): a structure–activity relationship study of KES4 assisted by in silico structure-based drug screening

[1]  H. Sakamoto,et al.  Identification of a novel class of small compounds with anti-tuberculosis activity by in silico structure-based drug screening , 2017, The Journal of Antibiotics.

[2]  H. Sakamoto,et al.  In silico structure-based drug screening of novel antimycobacterial pharmacophores by DOCK-GOLD tandem screening , 2017, International journal of mycobacteriology.

[3]  R. Horton,et al.  Tuberculosis—getting to zero , 2015, The Lancet.

[4]  G. Sotgiu,et al.  Tuberculosis treatment and drug regimens. , 2015, Cold Spring Harbor perspectives in medicine.

[5]  H. Sakamoto,et al.  Discovery of InhA inhibitors with anti-mycobacterial activity through a matched molecular pair approach. , 2015, European journal of medicinal chemistry.

[6]  O. N. de Souza,et al.  Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies. , 2015, European journal of medicinal chemistry.

[7]  Shunsuke Aoki,et al.  Identification of Novel Potential Antibiotics against Staphylococcus Using Structure-Based Drug Screening Targeting Dihydrofolate Reductase , 2014, J. Chem. Inf. Model..

[8]  S. Aoki,et al.  Computational medicinal chemistry for rational drug design: Identification of novel chemical structures with potential anti-tuberculosis activity. , 2013, Current topics in medicinal chemistry.

[9]  Hiroshi Sakamoto,et al.  Identification of Compounds with Potential Antibacterial Activity against Mycobacterium through Structure-Based Drug Screening , 2013, J. Chem. Inf. Model..

[10]  Shunsuke Aoki,et al.  Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library. , 2013, European journal of medicinal chemistry.

[11]  Gulcin Gulten,et al.  Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis , 2010, Molecular microbiology.

[12]  P. Constant,et al.  Development of isoniazid-NAD truncated adducts embedding a lipophilic fragment as potential bi-substrate InhA inhibitors and antimycobacterial agents. , 2010, European journal of medicinal chemistry.

[13]  Philippe Glaziou,et al.  Tuberculosis control and elimination 2010–50: cure, care, and social development , 2010, The Lancet.

[14]  R. Horton,et al.  Tuberculosis—time to accelerate progress , 2010, The Lancet.

[15]  C. Dye,et al.  The Population Dynamics and Control of Tuberculosis , 2010, Science.

[16]  Charles W. Schmidt,et al.  TOX 21: New Dimensions of Toxicity Testing , 2009, Environmental health perspectives.

[17]  T. Collier,et al.  The Synergistic Toxicity of Pesticide Mixtures: Implications for Risk Assessment and the Conservation of Endangered Pacific Salmon , 2008, Environmental health perspectives.

[18]  Peter J Tonge,et al.  Development of modern InhA inhibitors to combat drug resistant strains of Mycobacterium tuberculosis. , 2007, Current topics in medicinal chemistry.

[19]  Robert Stroud,et al.  Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis. , 2006, Journal of medicinal chemistry.

[20]  Fernanda Canduri,et al.  Crystallographic and pre-steady-state kinetics studies on binding of NADH to wild-type and isoniazid-resistant enoyl-ACP(CoA) reductase enzymes from Mycobacterium tuberculosis. , 2006, Journal of molecular biology.

[21]  Jean-Loup Faulon,et al.  The Signature Molecular Descriptor. 1. Using Extended Valence Sequences in QSAR and QSPR Studies , 2003, J. Chem. Inf. Comput. Sci..

[22]  James C. Sacchettini,et al.  Inactivation of the inhA-Encoded Fatty Acid Synthase II (FASII) Enoyl-Acyl Carrier Protein Reductase Induces Accumulation of the FASI End Products and Cell Lysis of Mycobacterium smegmatis , 2000, Journal of bacteriology.

[23]  S. Parikh,et al.  Inhibition of InhA, the enoyl reductase from Mycobacterium tuberculosis, by triclosan and isoniazid. , 2000, Biochemistry.

[24]  P. McDermott,et al.  Genetic Evidence that InhA of Mycobacterium smegmatis Is a Target for Triclosan , 1999, Antimicrobial Agents and Chemotherapy.

[25]  P Willett,et al.  Development and validation of a genetic algorithm for flexible docking. , 1997, Journal of molecular biology.

[26]  Leo Breiman,et al.  Bagging Predictors , 1996, Machine Learning.

[27]  J C Sacchettini,et al.  Enzymatic characterization of the target for isoniazid in Mycobacterium tuberculosis. , 1995, Biochemistry.

[28]  W. Jacobs,et al.  inhA, a gene encoding a target for isoniazid and ethionamide in Mycobacterium tuberculosis. , 1994, Science.

[29]  Leo Breiman,et al.  Bagging Predictors , 1996, Machine Learning.

[30]  John C. Platt,et al.  Probabilistic Outputs for Support vector Machines and Comparisons to Regularized Likelihood Methods , 1999 .

[31]  R. Glen,et al.  Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. , 1995, Journal of molecular biology.

[32]  H. Nikaido,et al.  The envelope of mycobacteria. , 1995, Annual review of biochemistry.