1,144
Views
12
CrossRef citations to date
0
Altmetric
Research Article

In silico studies of urease inhibitors to explore ligand-enzyme interactions

, , , &
Pages 151-156 | Received 11 Oct 2007, Accepted 07 Jan 2008, Published online: 20 Oct 2008

References

  • HL Mobley, MD Island, and RP Hausinger. (1995). Molecular biology of microbial ureases. Microbiol Rev 59:451–480.
  • C Preininger, and OS Wolfbeis. (1996). Disposable cuvette test with integrated sensor layer for enzymatic determination of heavy metals. Biosensors and Bioelectronics. 11:981–990.
  • M Suzuki, S Miura, M Suematsu, D Fukumura, I Kurose, H Suzuki, A Kai, Y Kudoh, M Ohashi, and M Tsuchiya. (1992). Helicobacter pylori-associated ammonia production enhances neutrophil-dependent gastric mucosal cell injury. Am J Physiol 263:719–725.
  • JM Bremner. (1995). Recent research on problems in the use of urea as a nitrogen fertilizer. Fert Res 42:321–329.
  • EMF Muri, H Mishra, SM Stein, and JS Williamson. (2004). Molecular modeling, synthesis and biological evaluation of heterocyclic hydroxamic acids designed as Helicobacter pylori urease inhibitors. Lett Drug Design & Discov 1:30–34.
  • TC Kuhler, J Fryklund, NA Bergman, J Weilitz, A Lee, and H Larsson. (1995). Structure-Activity relationship of omeprazole and analogues as Helicobacter pylori urease inhibitors. J Med Chem 38:4906–4916.
  • Atta-ur-Rahman Amtul Z, RA Siddiqui, and MI Choudhary. (2002). Chemistry and mechanism of urease inhibition. Curr Med Chem 14:1323–1348.
  • S Benini, WR Rypniewski, S Wilson, S Mangani, and S Ciurli. (2004). Molecular details of urease inhibition by boric acid: Insight into the catalytic mechanism. J Am Chem Soc 126:3714–3715.
  • MK Khan, MA Lodhi, MG Maharvi, S Perveen, and MI Choudhary. (2004). Synthesis and urease enzyme inhibitory effects of some dicoumarols. J Enz Inhib Med Chem 19:367–371.
  • MK Khan, S Iqbal, MA Lodhi, MG Maharvi, Z Ullah, and MI Choudhary. (2004). Atta-ur-Rahman. Perveen S. Biscoumarin: New class of urease inhibitors; economical synthesis and activity. J Bioorg Med Chem 12:1963–1968.
  • T Tanaka, M Kawase, and S Tani. (2004). α-Hydroxyketones as inhibitors of urease. Bioorg Med Chem 12:501–505.
  • Z-P Xiao, D-H Shi, H-Q Li, L-N Zhang, C Xu, and H-L Zhu. (2007). Polyphenols based on isoflavones as inhibitors of Helicobacter pylori urease. Bioorg Med Chem 15:3703–3710.
  • T Murafuji, T Azuma, Y Miyoshi, M Ishibashi, AFMM Rahman, K Migita, Y Sugihara, and Y Mikata. (2006). Inhibition of jack bean urease by organobismuth compounds. Bioorg Med Chem Lett 16:1510–1513.
  • MA Lodhi, J Hussain, AM Abbasi, RA Jassbi, MI Choudhary, and VU Ahmed. (2006). A new Bacillus pasteurii urease inhibitor from Euphorbia decipiens. J Enz Inhib Med Chem 21:531–535.
  • T Tanaka, M Kawase, and S Tani. (2003). Urease activity of simple α,β-unsaturated ketones. Life Sci 73:2985–2990.
  • FL Ansari, S Umbreen, L Hussain, T Makhmoor, SA Nawaz, MA Lodhi, SN Khan, F Shaheen, and Atta-ur-Rahman Choudhary MI. (2005). Synthesis and biological activities of chalcone and 1,5-Benzothiazepine derivatives: Promising new free-redical scavengers, and esterase, urease, and α-glucosidase inhibitors. Chem Biodiv 2:487–496. (b) Ullah A, Ansari FL, Ihsan-ul- Haq, Nazir S, Mirza B. Combinatorial synthesis, lead identification and antitumor study of a chalcone-based positional-scanning library. Chem Biodiv 2007; 4: 203-214
  • FL Ansari, RA Khera, A Ullah. Green synthesis of ferrocenyl chalcones as leishmanicidal agents (Manuscript in preparation).
  • VS Karthikeyan, and S Perumal. (2007). A facile protocol for the regioselective synthesis of novel thienobenzothiazepines. Tetrahedron Lett 48:2261–2265.
  • P Cosmos, L Fodor, J Sinkkonen, K Pihlaja, and G Bernath. (2006). New isomers of 4,1-benzothiazepines. The first evidence for the desmotropy of seven-membered heterocycles. Tetrahedron Lett 47:5665–5667.
  • FL Ansari, C Fedorchuk, M Parvez, S Umbreen, and S Saghir. (2002). Diastereomers of 4-(2-hydroxyphenyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine. Acta Cryst 58:422–425.
  • Y Guo, J Xiao, Z Guo, F Chu, Y Cheng, and S Wu. (2005). Exploration of a binding mode of indole amide analogues as potent histone deacetylase inhibitors and 3D-QSAR analyses. J Bioorg Med Chem 13:5424–5434. (b) Musiani F, Arnofi E, Casadio R, Ciurli S. Structure-based computational study of the catalytic and inhibition mechanism of urease. J Biol Inorg Chem 2001; 6: 300-314
  • M Ramiro, and K Muller. (1990). Molecular modeling studies on the urease active site and the enzyme-catalyzed urea hydrolysis. J Comp Aided Mol Design. 4:355–367.
  • MW Weatherburn. (1967). Phenol-hypochlorite reaction for determination of ammonia Anal Chem 39:971–974.
  • SYBYL, Version. 6.5. Molecular modeling software Tripos Associate Ltd St Louis MO, 1998.
  • M Rarey, B Kramer, T Lengauer, and G Klebe. (1996). A fast flexible docking method using an incremental construction algorithm. J Mol Biol 261:470–489.
  • KL Shukla, TM Gund, and SR Meshnick. (1995). Molecular modeling studies of the artemisinin (qinghaosu)-hemin interaction: Docking between the antimalarial agents and its putative receptors. J Mol Graphics 13:215–222. (b) Cheng F, Jianhua S, Xiamin L, Weiliang Z, J iande G, Ruyum J, Hualiang J, Kaixian C. Molecular docking and 3-D QSAR studies on the possible antimalarial mechanism of artemisinin analogues. Bioorg Med Chem 2002; 10: 2883-2891
  • M Clark, RD Cramer, and VN Opdenbosh. (1989). Validation of the general purpose tripos 5.2 force field. J Comput Chem 10:982.
  • W Humphrey, A Dalke, and K Schulten. (1996). VMD: Visual molecular dynamics. J Mol Graphics 14:33–38.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.