506
Views
4
CrossRef citations to date
0
Altmetric
Research Article

HQSAR study of β-ketoacyl‐acyl carrier protein synthase III (FabH) inhibitors

, &
Pages 7-14 | Received 02 May 2006, Accepted 05 Jul 2006, Published online: 04 Oct 2008

References

  • Jayakumar A, Tai MH, Huang WY, Al Feel W, Hsu M, Abu-Elheiga L, Chirala SS, Wakil SJ. Human fatty acid synthase: Properties and molecular cloning. Proc Natl Acad Sci USA 1995; 92: 8695–8699
  • Chirala SS, Huang WY, Jayakumar A, Sakai K, Wakil SJ. Animal fatty acid synthase: Functional mapping and cloning and expression of the domain I constituent activities. Proc Natl Acad Sci USA 1997; 94: 5588–5593
  • Cronan JE, Rock CO. Biosynthesis of Membrane Lipids. Escherichia coli and Salmonella typhimurium: Cellular and molecular biology2nd ed., FC Neidhardt. American Society for Microbiology, Washington DC 1996; 612–636
  • Clough RC, Matthis AL, Barnum SR, Jaworski JG. Purification and characterization of 3-ketoacyl–acyl carrier protein synthase-III from spinach: A condensing enzyme utilizing acetyl-coenzyme-A to initiate fatty acid synthesis. J Biol Chem 1992; 267: 20992–20998
  • Waller RF, Ralph SA, Reed MB, Su V, Douglas JD, Minnikin DE, Cowman AF, Besra GS, McFadden GI. A type II pathway for fatty acid biosynthesis presents drug targets in Plasmodium falciparum. Antimicrob Agents Chemother 2003; 47: 297–301
  • Nie Z, Perretta C, Lu J, Su Y, Margosiak S, Gajiwala KS, Cortez J, Nikulin V, Yager KM, Appelt K, Chu S. Structure-based design, synthesis, and study of potent inhibitors of β-ketoacyl–acyl carrier protein synthase III as potential antimicrobial agents. J Med Chem 2005; 48: 1596–1609
  • Van de Waterbeemd H. The history of drug research: From Hansch to the present. Quant Struct Act Relat 1992; 11: 200–204
  • Van de Waterbeemd H. Recent progress in QSAR technology. Drug Des Discov 1993; 9: 277–285
  • Heritage TW, Lowis DR. Molecular hologram QSAR. In rational drug design: Novel methodology and practical applications. ACS Symposium Series 1999; 719: 212–215
  • Crammer RD, III, Patterson DE, Bunce JD. Comparative molecular field analysis (CoMFA). Effect of shape on binding of steroids to carrier proteins. J Am Chem Soc 1988; 110: 5959–5967
  • Klebe G, Abraham U, Mietzner T. Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity. J Med Chem 1994; 37: 4130–4146
  • Ashek A, Cho SJ. A combined approach of docking and 3D QSAR study of β-ketoacyl–acyl carrier protein synthase III (FabH) inhibitors. Bioorg Med Chem 2006; 14: 1474–1482
  • Ash S, Cline MA, Homer RW, Hurst T, Smith GB. ″SYBYL line notation (SLN): A versatile language for chemical structure representation. J Chem Inf Comp Sci 1997; 37: 71–79
  • HQSAR Software. Tripos Associates: 1699 South Hanley Road, Suite 303, St. Louis, MO 63144.
  • Knuth DE. Sorting and searching: The art of computer programming2nd ed. Adison-Wesley, Reading, MA 1973
  • Flower DR. On the properties of bit string-based measures of chemical similarity. J Chem Inf Comput Sci 1998; 38: 379–386
  • Cramer, III RD, Bunce JD, Patterson DE, Frank IE. Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies. Quant Struct Act Relat 1988; 7: 18–25

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.