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Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors.

Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Zhang E, Edmunds JJ
Bioorg Med Chem Lett 15 2371-4 (2005)
Cited: 12 times
EuropePMC logo PMID: 15837327

Abstract

We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.

Articles - 2bks mentioned but not cited (4)

  1. A redox switch in angiotensinogen modulates angiotensin release. Zhou A, Carrell RW, Murphy MP, Wei Z, Yan Y, Stanley PL, Stein PE, Broughton Pipkin F, Read RJ. Nature 468 108-111 (2010)
  2. Crystal structure of the adenosine A2A receptor bound to an antagonist reveals a potential allosteric pocket. Sun B, Bachhawat P, Chu ML, Wood M, Ceska T, Sands ZA, Mercier J, Lebon F, Kobilka TS, Kobilka BK. Proc Natl Acad Sci U S A 114 2066-2071 (2017)
  3. Ligand binding site superposition and comparison based on Atomic Property Fields: identification of distant homologues, convergent evolution and PDB-wide clustering of binding sites. Totrov M. BMC Bioinformatics 12 Suppl 1 S35 (2011)
  4. Structural basis for the specificity of renin-mediated angiotensinogen cleavage. Yan Y, Zhou A, Carrell RW, Read RJ. J Biol Chem 294 2353-2364 (2019)


Articles citing this publication (8)

  1. Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking. Kazemi S, Krüger DM, Sirockin F, Gohlke H. ChemMedChem 4 1264-1268 (2009)
  2. Ketopiperazine-based renin inhibitors: optimization of the "C" ring. Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, Li T, Kasani A, Hall E, Subedi R, Rahim M, Maiti S. Bioorg Med Chem Lett 16 2500-2504 (2006)
  3. Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. Powell NA, Clay EH, Holsworth DD, Bryant JW, Ryan MJ, Jalaie M, Edmunds JJ. Bioorg Med Chem Lett 15 4713-4716 (2005)
  4. Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors. Holsworth DD, Jalaie M, Belliotti T, Cai C, Collard W, Ferreira S, Powell NA, Stier M, Zhang E, McConnell P, Mochalkin I, Ryan MJ, Bryant J, Li T, Kasani A, Subedi R, Maiti SN, Edmunds JJ. Bioorg Med Chem Lett 17 3575-3580 (2007)
  5. Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation. Al-Nadaf AH, Taha MO. J Mol Graph Model 29 843-864 (2011)
  6. The discovery and synthesis of potent zwitterionic inhibitors of renin. Aspiotis R, Chen A, Cauchon E, Dubé D, Falgueyret JP, Gagné S, Gallant M, Grimm EL, Houle R, Juteau H, Lacombe P, Laliberté S, Lévesque JF, MacDonald D, McKay D, Percival MD, Roy P, Soisson SM, Wu T. Bioorg Med Chem Lett 21 2430-2436 (2011)
  7. An integrated computational workflow for efficient and quantitative modeling of renin inhibitors. Subramanian G, Rao SN. Bioorg Med Chem 20 851-858 (2012)
  8. Computational modeling and design of renin inhibitors. Subramanian G. Bioorg Med Chem Lett 23 460-465 (2013)


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