메뉴 건너뛰기




Volumn 85, Issue 1, 2015, Pages 22-29

Computational methods to identify new antibacterial targets

Author keywords

cheminformatics; molecular modeling; proteomics; therapeutic target

Indexed keywords

ANTIINFECTIVE AGENT; LIGAND; NUCLEIC ACID; PROTEIN;

EID: 84918780223     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12385     Document Type: Review
Times cited : (13)

References (38)
  • 1
    • 0034727834 scopus 로고    scopus 로고
    • Managing antibiotic resistance
    • Wenzel R.P., Edmond M.B., (2000) Managing antibiotic resistance. N Engl J Med; 343: 1961-1963.
    • (2000) N Engl J Med , vol.343 , pp. 1961-1963
    • Wenzel, R.P.1    Edmond, M.B.2
  • 2
    • 12844274375 scopus 로고    scopus 로고
    • Antibiotics: Where did we go wrong
    • Overbye K.M., Barrett J.F., (2005) Antibiotics: where did we go wrong. Drug Discov Today; 10: 45-52.
    • (2005) Drug Discov Today , vol.10 , pp. 45-52
    • Overbye, K.M.1    Barrett, J.F.2
  • 3
    • 78751477224 scopus 로고    scopus 로고
    • Challenges of antibacterial discovery
    • Silver L.L., (2011) Challenges of antibacterial discovery. Clin Microbiol Rev; 24: 71-109.
    • (2011) Clin Microbiol Rev , vol.24 , pp. 71-109
    • Silver, L.L.1
  • 4
    • 79959740064 scopus 로고    scopus 로고
    • Antibiotics in the clinical pipeline in 2011
    • Butler M.S., Cooper M.A., (2011) Antibiotics in the clinical pipeline in 2011. J Antibiot; 64: 413-425.
    • (2011) J Antibiot , vol.64 , pp. 413-425
    • Butler, M.S.1    Cooper, M.A.2
  • 5
    • 80051703609 scopus 로고    scopus 로고
    • Discovery research: The scientific challenge of finding new antibiotics
    • Livermore D.M., (2011) Discovery research: the scientific challenge of finding new antibiotics. J Antimicrob Chemother; 66: 1941-1944.
    • (2011) J Antimicrob Chemother , vol.66 , pp. 1941-1944
    • Livermore, D.M.1
  • 6
    • 77957770819 scopus 로고    scopus 로고
    • Alarming beta-lactamase-mediated resistance in multidrug-resistant enterobacteriaceae
    • Bush K., (2010) Alarming beta-lactamase-mediated resistance in multidrug-resistant enterobacteriaceae. Curr Opin Microbiol; 13: 558-564.
    • (2010) Curr Opin Microbiol , vol.13 , pp. 558-564
    • Bush, K.1
  • 7
    • 33845903833 scopus 로고    scopus 로고
    • Drugs for bad bugs: Confronting the challenges of antibacterial discovery
    • Payne D.J., Gwynn M.N., Holmes D.J., Pompliano D.L., (2007) Drugs for bad bugs: confronting the challenges of antibacterial discovery. Nat Rev Drug Discov; 6: 29-40.
    • (2007) Nat Rev Drug Discov , vol.6 , pp. 29-40
    • Payne, D.J.1    Gwynn, M.N.2    Holmes, D.J.3    Pompliano, D.L.4
  • 8
    • 70349971143 scopus 로고    scopus 로고
    • New screens and targets in antibacterial drug discovery
    • Falconer S.B., Brown E.D., (2009) New screens and targets in antibacterial drug discovery. Curr Opin Microbiol; 12: 497-504.
    • (2009) Curr Opin Microbiol , vol.12 , pp. 497-504
    • Falconer, S.B.1    Brown, E.D.2
  • 10
    • 29144531173 scopus 로고    scopus 로고
    • The druggable genome: An update
    • Russ A.P., Lampel S., (2005) The druggable genome: an update. Drug Discov Today; 10: 1607-1610.
    • (2005) Drug Discov Today , vol.10 , pp. 1607-1610
    • Russ, A.P.1    Lampel, S.2
  • 12
    • 84887524955 scopus 로고    scopus 로고
    • In silico analyses for the discovery of tuberculosis drug targets
    • Chung B.K.-S., Dick T., Lee D.-Y., (2013) In silico analyses for the discovery of tuberculosis drug targets. J Antimicrob Chemother; 68: 2701-2709.
    • (2013) J Antimicrob Chemother , vol.68 , pp. 2701-2709
    • Chung, B.K.-S.1    Dick, T.2    Lee, D.-Y.3
  • 13
    • 75149125686 scopus 로고    scopus 로고
    • Recent advances and method development for drug target identification
    • Chan J.N.Y., Nislow C., Emili A., (2010) Recent advances and method development for drug target identification. Trends Pharmacol Sci; 31: 82-88.
    • (2010) Trends Pharmacol Sci , vol.31 , pp. 82-88
    • Chan, J.N.Y.1    Nislow, C.2    Emili, A.3
  • 14
    • 17144373303 scopus 로고    scopus 로고
    • Druggability indices for protein targets derived from NMR-based screening data
    • Hajduk P.J., Huth J.R., Fesik S.W., (2005) Druggability indices for protein targets derived from NMR-based screening data. J Med Chem; 48: 2518-2525.
    • (2005) J Med Chem , vol.48 , pp. 2518-2525
    • Hajduk, P.J.1    Huth, J.R.2    Fesik, S.W.3
  • 15
    • 0035342428 scopus 로고    scopus 로고
    • Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
    • Chen Y.Z., Zhi D.G., (2001) Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule. Proteins; 43: 217-226.
    • (2001) Proteins , vol.43 , pp. 217-226
    • Chen, Y.Z.1    Zhi, D.G.2
  • 16
    • 78650750102 scopus 로고    scopus 로고
    • 3D pharmacophores as tools for activity profiling
    • Schuster D., (2010) 3D pharmacophores as tools for activity profiling. Drug Discov Today Technol; 7: e203-e270.
    • (2010) Drug Discov Today Technol , vol.7 , pp. e203-e270
    • Schuster, D.1
  • 17
    • 10344230435 scopus 로고    scopus 로고
    • Molecular similarity: A key technique in molecular informatics
    • Bender A., Glen R.C., (2004) Molecular similarity: a key technique in molecular informatics. Org Biomol Chem; 2: 3204-3218.
    • (2004) Org Biomol Chem , vol.2 , pp. 3204-3218
    • Bender, A.1    Glen, R.C.2
  • 20
  • 23
    • 33748189789 scopus 로고    scopus 로고
    • Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: Reverse docking, enzymatic assay, and X-ray crystallography validation
    • Cai J.H., Han C., Hu T.C., Zhang J., Wu D.L., Wang F.D., Liu Y.Q., Ding J.P., Chen K.X., Yue J.M., Shen X., Jiang H.L., (2006) Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation. Protein Sci; 15: 2071-2081.
    • (2006) Protein Sci , vol.15 , pp. 2071-2081
    • Cai, J.H.1    Han, C.2    Hu, T.C.3    Zhang, J.4    Wu, D.L.5    Wang, F.D.6    Liu, Y.Q.7    Ding, J.P.8    Chen, K.X.9    Yue, J.M.10    Shen, X.11    Jiang, H.L.12
  • 24
    • 84858170399 scopus 로고    scopus 로고
    • UniDrug-target: A computational tool to identify unique drug targets in pathogenic bacteria
    • Chanumolu S.K., Rout C., Chauhan R.S., (2012) UniDrug-target: a computational tool to identify unique drug targets in pathogenic bacteria. PLoS ONE; 7: e32833.
    • (2012) PLoS ONE , vol.7 , pp. e32833
    • Chanumolu, S.K.1    Rout, C.2    Chauhan, R.S.3
  • 25
    • 33646198766 scopus 로고    scopus 로고
    • In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction
    • Ji Z.L., Wang Y., Yu L., Han L.Y., Zheng C.J., Chen Y.Z., (2006) In silico search of putative adverse drug reaction related proteins as a potential tool for facilitating drug adverse effect prediction. Toxicol Lett; 164: 104-112.
    • (2006) Toxicol Lett , vol.164 , pp. 104-112
    • Ji, Z.L.1    Wang, Y.2    Yu, L.3    Han, L.Y.4    Zheng, C.J.5    Chen, Y.Z.6
  • 26
    • 33845618105 scopus 로고    scopus 로고
    • Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation
    • Chen X., Zhou H., Liu Y.B., Wang J.F., Li H., Ung C.Y., Han L.Y., Cao Z.W., Chen Y.Z., (2006) Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation. Br J Pharmacol; 149: 1092-1103.
    • (2006) Br J Pharmacol , vol.149 , pp. 1092-1103
    • Chen, X.1    Zhou, H.2    Liu, Y.B.3    Wang, J.F.4    Li, H.5    Ung, C.Y.6    Han, L.Y.7    Cao, Z.W.8    Chen, Y.Z.9
  • 27
    • 0041973445 scopus 로고    scopus 로고
    • Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients?
    • Chen X., Ung C.Y., Chen Y.Z., (2003) Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients? Nat Prod Rep; 20: 432-444.
    • (2003) Nat Prod Rep , vol.20 , pp. 432-444
    • Chen, X.1    Ung, C.Y.2    Chen, Y.Z.3
  • 28
    • 43949129098 scopus 로고    scopus 로고
    • Physicochemical properties of antibacterial compounds: Implications for drug discovery
    • O'Shea R., Moser H.E., (2008) Physicochemical properties of antibacterial compounds: implications for drug discovery. J Med Chem; 51: 2871-2878.
    • (2008) J Med Chem , vol.51 , pp. 2871-2878
    • O'Shea, R.1    Moser, H.E.2
  • 30
    • 36349010717 scopus 로고    scopus 로고
    • Prediction of potential drug targets based on simple sequence properties
    • Li Q., Lai L., (2007) Prediction of potential drug targets based on simple sequence properties. BMC Bioinformatics; 8: 353.
    • (2007) BMC Bioinformatics , vol.8 , pp. 353
    • Li, Q.1    Lai, L.2
  • 31
    • 33947600314 scopus 로고    scopus 로고
    • Support vector machines approach for predicting druggable proteins: Recent progress in its exploration and investigation of its usefulness
    • Han L.Y., Zheng C.J., Xie B., Jia J., Ma X.H., Zhu F., Lin H.H., Chen X., Chen Y.Z., (2007) Support vector machines approach for predicting druggable proteins: recent progress in its exploration and investigation of its usefulness. Drug Discov Today; 12: 304-313.
    • (2007) Drug Discov Today , vol.12 , pp. 304-313
    • Han, L.Y.1    Zheng, C.J.2    Xie, B.3    Jia, J.4    Ma, X.H.5    Zhu, F.6    Lin, H.H.7    Chen, X.8    Chen, Y.Z.9
  • 32
    • 32144432437 scopus 로고    scopus 로고
    • The SWISS-MODEL workspace: A web-based environment for protein structure homology modelling
    • Arnold K., Bordoli L., Kopp J., Schwede T., (2006) The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling. Bioinformatics; 22: 195-201.
    • (2006) Bioinformatics , vol.22 , pp. 195-201
    • Arnold, K.1    Bordoli, L.2    Kopp, J.3    Schwede, T.4
  • 33
    • 63849246525 scopus 로고    scopus 로고
    • Protein structure prediction on the Web: A case study using the Phyre server
    • Kelley L.A., Sternberg M.J.E., (2009) Protein structure prediction on the Web: a case study using the Phyre server. Nat Protoc; 4: 363-371.
    • (2009) Nat Protoc , vol.4 , pp. 363-371
    • Kelley, L.A.1    Sternberg, M.J.E.2
  • 34
    • 59149097144 scopus 로고    scopus 로고
    • Medicinal chemistry and the molecular operating environment (MOE): Application of QSAR and molecular docking to drug discovery
    • Vilar S., Cozza G., Moro S., (2008) Medicinal chemistry and the molecular operating environment (MOE): application of QSAR and molecular docking to drug discovery. Curr Top Med Chem; 8: 1555-1572.
    • (2008) Curr Top Med Chem , vol.8 , pp. 1555-1572
    • Vilar, S.1    Cozza, G.2    Moro, S.3
  • 35
    • 34548248275 scopus 로고    scopus 로고
    • Structural biology, protein conformations and drug designing
    • Kishan K.V.R., (2007) Structural biology, protein conformations and drug designing. Curr Protein Pept Sci; 8: 376-380.
    • (2007) Curr Protein Pept Sci , vol.8 , pp. 376-380
    • Kishan, K.V.R.1
  • 36
    • 80051785065 scopus 로고    scopus 로고
    • A homology model for Clostridium difficile methionyl tRNA synthetase: Active site analysis and docking interactions
    • Al-Moubarak E., Simons C., (2011) A homology model for Clostridium difficile methionyl tRNA synthetase: active site analysis and docking interactions. J Mol Model; 17: 1679-1693.
    • (2011) J Mol Model , vol.17 , pp. 1679-1693
    • Al-Moubarak, E.1    Simons, C.2
  • 37
    • 77955341067 scopus 로고    scopus 로고
    • Probing the structure of Leishmania donovani chagasi DHFR-TS: Comparative protein modeling and protein-ligand interaction studies
    • Maganti L., Manoharan P., Ghoshal N., (2010) Probing the structure of Leishmania donovani chagasi DHFR-TS: comparative protein modeling and protein-ligand interaction studies. J Mol Model; 16: 1539-1547.
    • (2010) J Mol Model , vol.16 , pp. 1539-1547
    • Maganti, L.1    Manoharan, P.2    Ghoshal, N.3
  • 38
    • 33846845032 scopus 로고    scopus 로고
    • Pharmacophore identification and virtual screening for methionyl-tRNA synthetase inhibitors
    • Bharatham N., BlIaratham K., Lee K.W., (2007) Pharmacophore identification and virtual screening for methionyl-tRNA synthetase inhibitors. J Mol Graph Model; 25: 813-823.
    • (2007) J Mol Graph Model , vol.25 , pp. 813-823
    • Bharatham, N.1    Bliaratham, K.2    Lee, K.W.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.