Molecular docking studies of curcumin analogs with phospholipase A2

Interdisciplinary Sciences – Computational Life Sciences

Volumn 3, Issue 3, 2011, Pages 189-197

  Dileep, K V ^a   Tintu, Ignatius ^a   Sadasivan, C ^a  

^a KANNUR UNIVERSITY   (India)

Author keywords

anti inflammatory; crystal structure; curcumin; phospholipase A2; virtual screening

Indexed keywords

CURCUMA LONGA;

CURCUMIN; DRUG DERIVATIVE; LIGAND; PHOSPHOLIPASE A2;

ANIMAL; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; MOLECULAR DYNAMICS; PROTEIN BINDING; SWINE; THERMODYNAMICS;

ANIMALS; CATALYTIC DOMAIN; CURCUMIN; LIGANDS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PHOSPHOLIPASES A2; PROTEIN BINDING; SUS SCROFA; THERMODYNAMICS;

EID: 84859918236     PISSN: 19132751     EISSN: 18671462     Source Type: Journal    
DOI: 10.1007/s12539-011-0090-9     Document Type: Article

References (19)

1. Berg, O. G., Gelb, M. H., Tsai, M. D., Jain, M. K. 2001. Review interfacial enzymology: The secreted phospholipase A2-paradigm. Chem Rev 101, 2613-2654.
2. Chandra, V., Jasti, J., Kaur, P., Srinivasan, A., Betzel, C., Singh, T. P. 2002. Structural basis of phospholipase A2 inhibition for the synthesis of prostaglandins by the plant alkaloid aristolochic acid from a 1. 7 A crystal structure. Biochemistry 41, 10914-10919.
3. Dijkstra, B. W., Renetseder, R., Kalk, K. H., Hol, W. G., Drenth, J. 1983. Structure of porcine pancreatic phospholipase A2 at 2. 6 A resolution and comparison with bovine phospholipase A2. J Mol Biol 168, 163-179.
4. Furnessb, M. S., Robinsonb, T. P., Ehlersb, T., Hubbard, R. B., Arbiserc, J. L., Goldsmithd, D. J., Bowen, J. P. 2005. Antiangiogenic agents: Studies on fumagillin and curcumin analogs. Curr Pharm Des 11, 357-373.
5. 2+ sensitization of contraction in vascular smooth muscle. J Biol Chem 278, 1856-1863.
6. Kohli, K., Ali, J., Ansari, M. J., Raheman, Z. 2005 Curcumin: A natural anti-inflammatory agent. Indian J Pharmacol 37, 141-147.
7. Liu, Y., Han, X. F., Huang, C. K., Hao, X., Lai, L. H. 2005. Indole-5-phenylcarbamate derivatives as human non-pancreatic secretory phospholipase A2 inhibitor. Bioorg Med Chem Lett 15, 4540-4542.
8. Mukherjee, A. B., Miele, L., Pattabiraman, N. 1994. Phospholipase A2 enzymes: Regulation and physiological role. Biochem Pharmacol 48, 1-10.
9. Mukhopadhyay, A., Basu, N., Ghatak, N., Gujral, P. K. 1982. Anti-inflammatory and irritant activities of curcumin analogues in rats. Agents Actions 12, 508-515.
10. Nirmal, N., Om Prabha, G., Velmurugan, D. 2008. Modeling studies on phospholipase A2-inhibitor complexes. Indian J Biochem Biophys 45, 256-262.
11. Singh, R. K., Singh, N., Jabeen, T., Sharma, S., Dey, S., Singh, T. P. 2005. Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2. 6 A resolution. J Drug Target 13, 367-374.
12. Skrzypczak-Jankun, E., Zhou, K., McCabe, N. P., Selman, S. H., Jankun, J. 2003. Structure of curcumin in complex with lipoxygenase and its significance in cancer. Int J Mol Med 12, 17-24.
13. Ticli, F. K., Hage, L. I. S., Cambraia, R. S., Pereira, P. S., Magro, A. J., Fontes, M. R. M., Stábeli, J. R., Giglio, R. G., Franc, S. C., Soares, A. M., Sampaio, S. V. 2005. Rosmarinic acid, a new snake venom phospholipases A2 inhibitor from Cordia verbenacea (Boraginceae): Antiserum action potentiation and molecular interaction. Toxicon 46, 318-327.
14. van den Bergh, C. J., Slotboom, A. J., Verheij, H. M., de Haas, G. H. 1989. The role of Asp-49 and other conserved amino acids in phospholipases A2 and their importance for enzymatic activity. J Cell Biochem 39, 379-390.
15. Verheij, H. M., Slotboom, A. J., de Haas, G. H. 1981. Structure and function of phospholipase A2. Rev Physiol Biochem Pharmacol 91, 91-203.
16. Verheij, H. M., Volwerk, J. J., Jansen, E. H., Puyk, W. C., Dijkstra, B. W., Drenth, J., de Haas, G. H. 1980. Methylation of histidine-48 in pancreatic phospholipase A2. Role of histidine and calcium ion in the catalytic mechanism. Biochemistry 19, 743-750.
17. Waite, M. 1987. The Phospholipases. In: Hanahan, D. J. (Ed.) Handbook of Lipid Research. Plenum Press, New York.
18. Yu, B. Z., Berg, O. G., Jain, M. K. 1993. The divalent cation is obligatory for the binding of ligands to the catalytic site of secreted phospholipase A2. Biochemistry 32, 6485-6492.
19. Yuan, C., Byeon, I. J., Poi, M. J., Tsai M. D. 1999. Structural analysis of phospholipase A2 from functional perspective. II. Characterization of a molten globule-like state induced by site-specific mutagenesis. Biochemistry 38, 2919-2929.