888
Views
9
CrossRef citations to date
0
Altmetric
Research Article

Topological descriptors in modeling malonyl coenzyme A decarboxylase inhibitory activity: N-Alkyl-N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropylphenyl)amide derivatives

, , &
Pages 77-85 | Received 08 Aug 2007, Accepted 10 Dec 2007, Published online: 20 Oct 2008

References

  • D Hearse. Metabolic approaches to ischemic heart disease and its management. New York: Science Press Ltd; (1998).
  • JA Kennedy, SA Unger, and JD Horowitz. (1996). Inhibition of carnitine palmitoyltransferase-1 in rat heart and liver by perhexiline and amiodarone. Biochem Pharmacol 52:273–280.
  • JG McCormack, RL Barr, AA Wolff, and GD Lopaschuk. (1996). Ranolazine stimulates glucose oxidation in normoxic, ischemic, and reperfused ischemic rat hearts. Circulation 93:135–142. (b) McCormack JG, Stanley WC, Wolff AA. Ranolazine: A novel metabolic modulator for the treatment of angina. Genet Pharmacol1998;30:639-645. (c) Pepine CJ, Wolff AA. A controlled trial with a novel anti-ischemic agent, ranolazine in chronic stable angina pectoris that is responsive to conventional antianginal agents. Ranolazine study group. Am J Cardiol 1999;84:46-50
  • PF Kantor, A Lucien, R Kozak, and GD Lopaschuk. (2000). The antianginal drug trimetazidine shifts cardiac energy metabolism from fatty acid oxidation to glucose oxidation by inhibiting mitochondrial long-chain 3-ketoacyl coenzyme A thiolase. Circ Res 86:580–588.
  • JR Dyck, J-F Cheng, W Stanley, R Barr, MP Chandler, S Brown, D Wallace, T Arrhenius, C Harmon, G Yang, A Nadzan, and GD Lopaschuk. (2004). Malonyl-CoA decarboxylase inhibition protects the ischemic heart by inhibiting fatty acid oxidation and stimulating glucose oxidation. Circ Res 94:e78–e84.
  • J-F Cheng, M Chen, D Wallace, S Tith, M Haramura, B Liu, CC Mak, T Arrhenius, S Reily, S Brown, V Thorn, C Harmon, R Barr, JRB Dyck, GD Lopaschuk, and AM Nadzan. (2006). Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors. J Med Chem 49:1517–1525.
  • MR Patel, and TT Talele. (2007). 3D-QSAR studies on malonyl coenzyme A decarboxylase inhibitors. Bioorg Med Chem 15:4470–4481.
  • Dragon software (version 1.11-2001) by R Todeschini ,V Consonni. Milano, Italy.
  • Chemdraw ultra 6.0 and Chem3D ultra. Cambridge Soft Corporation, Cambridge, USA.
  • YS Prabhakar. (2003). A combinatorial approach to the variable selection in multiple linear regression: Analysis of Selwood. data set – A case study. QSAR Comb Sci 22:583–595.
  • MK Gupta, R Sagar, AK Shaw, and YS Prabhakar. (2005). CP-MLR directed QSAR studies on the antimycobacterial activity of functionalized alkenols-topological descriptors in modeling the activity. Bioorg Med Chem 13:343–351.
  • YS Prabhakar, RK Rawal, MK Gupta, VR Solomon, and SB Katti. (2005). Topological descriptors in modeling the HIV inhibitory activity of 2-aryl-3-pyridyl-thiazolidin-4-ones. Comb Chem High Thro Screen 8:431–437.
  • MK Gupta, and YS Prabhakar. (2006). Topological descriptors in modeling the antimalarial activity of 4-(3',5'-disubstituted aniline)quinolines. J Chem Inf Model 46:93–102.
  • S-S So, and M Karplus. (1997). Three-dimensional quantitative structure-activity relationship from molecular similarity matrices and genetic neural networks 1. Method and validation. J Med Chem 40:4347–4359.
  • YS Prabhakar, VR Solomon, RK Rawal, MK Gupta, and SB Katti. (2004). CP-MLR/PLS directed structure-activity modeling of the HIV-1 RT inhibitory activity of 2,3-diaryl-1,3-thiazolidin-4-ones. QSAR Comb Sci 23:234–244.
  • PAP Moran. (1950). Notes on continuous stochastic phenomena. Biometrika 37:17–23.
  • RC Geary. (1954). The contiguity ratio and statistical mapping. Incorp Statist 5:115–145.
  • P Broto, G Moreau, and C Vandycke. (1984). 2D autocorrelations. Eur J Med Chem 19:66–70.
  • SYSTAT, Version 7.0; SPSS Inc., 444 North Michigan Avenue, Chicago, IL, 60611.

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.