IA, database of known ligands of aminoacyl-tRNA synthetases

被引:3
作者
Torchala, Mieczyslaw
Hoffmann, Marcin
机构
[1] BioInfoBank Inst, PL-60744 Poznan, Poland
[2] Adam Mickiewicz Univ, Fac Phys, PL-61614 Poznan, Poland
[3] Adam Mickiewicz Univ, Fac Chem, PL-60780 Poznan, Poland
关键词
aminoacyl-tRNA synthetases; aminoacyl-tRNA synthetases inhibitors; molecular docking; virtual high throughput screening; METHIONYL-TRANSFER-RNA; INHIBITORS; POTENT; ANALOGS; SERIES; ADENYLATES; DISCOVERY; DOCKING;
D O I
10.1007/s10822-007-9135-x
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The IA database contains 240 structures of known inhibitors of aminoacyl- tRNA synthetases. Structures can be downloaded in different file formats (mol, sdf, smile, png). The search engine offers possibility of searching for the ligands with a given functional group. Additionally, one can search for ligands that act on selected synthetases and from particular references. The data include information which synthetase a given ligand inhibits together with the inhibition constant (IC50) if known.
引用
收藏
页码:523 / 525
页数:3
相关论文
共 31 条
  • [1] Analogues of SB-203207 as inhibitors of tRNA synthetases
    Banwell, MG
    Crasto, CF
    Easton, CJ
    Forrest, AK
    Karoli, T
    March, DR
    Mensah, L
    Nairn, MR
    O'Hanlon, PJ
    Oldham, MD
    Yue, WM
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2000, 10 (20) : 2263 - 2266
  • [2] Comparative study of several algorithms for flexible ligand docking
    Bursulaya, BD
    Totrov, M
    Abagyan, R
    Brooks, CL
    [J]. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2003, 17 (11) : 755 - 763
  • [3] Antibacterial activity of REP8839, a new antibiotic for topical use
    Critchley, IA
    Young, CL
    Stone, KC
    Ochsner, UA
    Guiles, J
    Tarasow, T
    Janjic, N
    [J]. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2005, 49 (10) : 4247 - 4252
  • [4] eHiTS-to-VMD interface application. The search for tyrosine-tRNA ligase inhibitors
    Eitner, Krystian
    Gaweda, Tomasz
    Hoffmann, Marcin
    Jura, Miroslawa
    Rychlewski, Leszek
    Barciszewski, Jan
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (02) : 695 - 702
  • [5] Design and synthesis of quinolinones as methionyl-tRNA synthetase inhibitors
    Farhanullah
    Kim, Su Yeon
    Yoon, Eun-Jeong
    Choi, Eung-Chil
    Kim, Sunghoon
    Kang, Taehee
    Samrin, Farhana
    Puri, Sadhna
    Lee, Jeewoo
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY, 2006, 14 (21) : 7154 - 7159
  • [6] Discovery of a potent and selective series of pyrazole bacterial methionyl-tRNA synthetase inhibitors
    Finn, J
    Mattia, K
    Morytko, M
    Ram, S
    Yang, YF
    Wu, XM
    Mak, E
    Gallant, P
    Keith, D
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2003, 13 (13) : 2231 - 2234
  • [7] Prospects for aminoacyl-tRNA synthetase inhibitors as new antimicrobial agents
    Hurdle, JG
    O'Neill, AJ
    Chopra, I
    [J]. ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 2005, 49 (12) : 4821 - 4833
  • [8] Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase
    Jarvest, RL
    Erskine, SG
    Forrest, AK
    Fosberry, AP
    Hibbs, MJ
    Jones, JJ
    O'Hanlon, PJ
    Sheppard, RJ
    Worby, A
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2005, 15 (09) : 2305 - 2309
  • [9] Definition of the heterocyclic pharmacophore of bacterial methionyl tRNA synthetase inhibitors: potent antibacterially active non-quinolone analogues
    Jarvest, RL
    Armstrong, SA
    Berge, JM
    Brown, P
    Elder, JS
    Brown, MJ
    Copley, RCB
    Forrest, AK
    Hamprecht, DW
    O'Hanlon, PJ
    Mitchell, DJ
    Rittenhouse, S
    Witty, DR
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2004, 14 (15) : 3937 - 3941
  • [10] Conformational restriction of methionyl tRNA synthetase inhibitors leading to analogues with potent inhibition and excellent gram-positive antibacterial activity
    Jarvest, RL
    Berge, JM
    Brown, P
    Houge-Frydrych, CSV
    O'Hanlon, PJ
    McNair, DJ
    Pope, AJ
    Rittenhouse, S
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2003, 13 (07) : 1265 - 1268