66
Views
0
CrossRef citations to date
0
Altmetric
Original Research

Hologram quantitative structure–activity relationship and comparative molecular field analysis studies within a series of tricyclic phthalimide HIV-1 integrase inhibitors

, , , , , & show all
Pages 953-961 | Published online: 05 Sep 2013

References

  • Joint United Nations Programme on HIV and AIDS (UNAIDS) UNAIDS Report on the Global AIDS Epidemic: 2010 Washington UNAIDS 2010 Available from: http://www.unaids.org/globalreport/global_report.htm Accessed July 2, 2013
  • Koppensteiner H Brack-Werner R Schindler M Macrophages and their relevance in Human Immunodeficiency Virus Type I infection Retrovirology 2012 9 82 23035819
  • Nguyen BY Isaacs RD Teppler H Raltegravir: the first HIV-1 integrase strand transfer inhibitor in the HIV armamentarium Ann NY Acad Sci 2011 1222 83 89 21434946
  • Mullard A 2012 FDA drug approvals Nat Rev Drug Discov 2013 12 2 87 90 23370234
  • Mesplède T Quashie PK Wainberg MA Resistance to HIV integrase inhibitors Curr Opin HIV AIDS 2012 7 5 401 408 22789986
  • Mouscadet JF Delelis O Marcelin AG Tchertanov L Resistance to HIV-1 integrase inhibitors: A structural perspective Drug Resist Updat 2010 13 4–5 139 150 20570551
  • Quashie PK Mesplède T Wainberg MA Evolution of HIV integrase resistance mutations Curr Opin Infect Dis 2013 26 1 43 49 23242340
  • Pommier Y Johnson AA Marchand C Integrase inhibitors to treat HIV/AIDS Nat Rev Drug Discov 2005 4 3 236 248 15729361
  • Verschueren WG Dierynck I Amssoms KI Design and optimization of tricyclic phtalimide analogues as novel inhibitors of HIV-1 integrase J Med Chem 2005 48 6 1930 1940 15771437
  • Heritage TW Lowis DR Molecular hologram QSAR ACS Symposium Series 1999 719 212 225
  • Cramer RD Patterson DE Bunce JD Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins J Am Chem Soc 1988 110 18 5959 5967 22148765
  • Rodrigues CR Flaherty TM Springer C McKerrow JH Cohen FE CoMFA and HQSAR of acylhydrazide cruzain inhibitors Bioorg Med Chem Lett 2002 12 11 1537 1541 12031337
  • Burt SK Hutchins CW Greer J Predicting receptor-ligand interactions Curr Opin Struct Biol 1991 1 2 213 218
  • de Brito MA Rodrigues CR Cirino JJ Residue-ligand interaction energy (ReLIE) on a receptor-dependent 3D-QSAR analysis of S- and NH-DABOs as non-nucleoside reverse transcriptase inhibitors Molecules 2012 17 7 7666 7694 22732882
  • Yu L Cao R Yi W Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase Bioorg Med Chem Lett 2010 20 11 3254 3258 20452769
  • de Souza SD de Souza AM de Sousa AC Hologram QSAR models of 4-[(diethylamino)methyl]-phenol inhibitors of acetyl/butyrylcholinesterase enzymes as potential anti-Alzheimer agents Molecules 2012 17 8 9529 9539 22878227
  • Kawasuji T Fuji M Yoshinaga T Sato A Fujiwara T Kiyama R A platform for designing HIV integrase inhibitors. Part 2: a two-metal binding model as a potential mechanism of HIV integrase inhibitors Bioorg Med Chem 2006 14 24 8420 8429 17005407
  • Agrawal A DeSoto J Fullagar JL Probing chelation motifs in HIV integrase inhibitors Proc Natl Acad Sci U S A 2012 109 7 2251 2256 22308350
  • Clark M Cramer RD The probability of chance correlation using partial least-squares (PLS) Quantitative Structure-Activity Relationships 1993 12 2 137 145
  • Golbraikh A Tropsha A Beware of q2! J Mol Graph Model 2002 20 4 269 276 11858635
  • Pasqualoto KF Ferreira MM Molecular modeling and receptor-dependent (RD) 3D-QSAR approach to a set of antituberculosis derivatives QSAR Comb Sci 2009 28 11–12 1455 1464