메뉴 건너뛰기




Volumn 17, Issue 4, 2011, Pages 817-831

Design of 1-arylsulfamido-2-alkylpiperazine derivatives as secreted PLA2 inhibitors

Author keywords

CoMFA; CoMSIA; Design; Docking; Molecular modeling; PLA2

Indexed keywords

1 ARYL SULFAMIDO 2 ALKYL PIPERAZINE DERIVATIVE; PHOSPHOLIPASE A2; PHOSPHOLIPASE A2 INHIBITOR; PIPERAZINE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 79957944746     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0752-2     Document Type: Article
Times cited : (12)

References (37)
  • 3
    • 0034739474 scopus 로고    scopus 로고
    • 2 and their receptor and protein binding proteins
    • 1:CAS:528:DC%2BD3cXotlGisbc%3D
    • 2 and their receptor and protein binding proteins Biochim Biophys Acta - Mol Cell Bio Lip 1488 59 70 1:CAS:528: DC%2BD3cXotlGisbc%3D
    • (2000) Biochim Biophys Acta - Mol Cell Bio Lip , vol.1488 , pp. 59-70
    • Valentin, E.1    Lambeau, G.2
  • 6
    • 0034737824 scopus 로고    scopus 로고
    • 2: A newly recognized acute-phase reactant with a role in atherogenesis
    • 2: a newly recognized acute-phase reactant with a role in atherogenesis Circ Res 86 610 612 1:CAS:528:DC%2BD3cXitlajsb8%3D (Pubitemid 30208425)
    • (2000) Circulation Research , vol.86 , Issue.6 , pp. 610-612
    • Kovanen, P.T.1    Pentikainen, M.O.2
  • 7
    • 0021989439 scopus 로고
    • 2 in normal human epidermis and in lesion-free epidermis of patients with psoriasis or eczema
    • DOI 10.1111/j.1365-2133.1985.tb00077.x
    • 2 in normal human epidermis and in lesion-free epidermis of patients with psoriasis or eczema Br J Dermatol 112 135 147 10.1111/j.1365-2133.1985.tb00077.x 1:STN:280: DyaL2M7it1Crug%3D%3D (Pubitemid 15165804)
    • (1985) British Journal of Dermatology , vol.112 , Issue.2 , pp. 135-147
    • Forster, S.1    Ilderton, E.2    Norris, J.F.B.3
  • 8
    • 0028081488 scopus 로고
    • 2 in colonic mucosa of patients with Crohn's disease and ulcerative colitis
    • 2 in colonic mucosa of patients with Crohn's disease and ulcerative colitis Gut 35 1593 1598 10.1136/gut.35.11.1593 1:STN:280:DyaK2M7ivF2ltA%3D%3D (Pubitemid 24339259)
    • (1994) Gut , vol.35 , Issue.11 , pp. 1593-1598
    • Minami, T.1    Tojo, H.2    Shinomura, Y.3    Matsuzawa, Y.4    Okamoto, M.5
  • 12
    • 33750712502 scopus 로고    scopus 로고
    • In silico-guided target identification of a scaffold-focused library: 1,3,5-Triazepan-2,6-diones as novel phospholipase A2 inhibitors
    • DOI 10.1021/jm0606589
    • P Muller G Lena E Boilard S Bezzine G Lambeau G Guichard D Rognan 2006 In silico-guided target identification of a scaffold-focused library: 1, 3, 5-triazepan-2, 6-diones as novel phospholipase A2 inhibitors J Med Chem 49 6768 6778 10.1021/jm0606589 1:CAS:528:DC%2BD28XhtVOqsLfP (Pubitemid 44749744)
    • (2006) Journal of Medicinal Chemistry , vol.49 , Issue.23 , pp. 6768-6778
    • Muller, P.1    Lena, G.2    Boilard, E.3    Bezzine, S.4    Lambeau, G.5    Guichard, G.6    Rognan, D.7
  • 18
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • 10.1021/ja00226a005 1:CAS:528:DyaL1cXltVCqsbs%3D
    • RD Cramer DE Patterson JD Bunce 1988 Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins J Am Chem Soc 110 5959 5967 10.1021/ja00226a005 1:CAS:528:DyaL1cXltVCqsbs%3D
    • (1988) J Am Chem Soc , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 19
    • 0027944195 scopus 로고
    • Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity
    • DOI 10.1021/jm00050a010
    • G Klebe U Abraham T Mietzner 1994 Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity J Med Chem 37 4130 4146 10.1021/jm00050a010 1:CAS:528:DyaK2cXmslWhu7Y%3D (Pubitemid 24379702)
    • (1994) Journal of Medicinal Chemistry , vol.37 , Issue.24 , pp. 4130-4146
    • Klebe, G.1    Abraham, U.2    Mietzner, T.3
  • 20
    • 0024716284 scopus 로고
    • Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
    • N Vellarkad VN Viswanadhan AK Ghose R Revenkar RN Robins 1989 Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics J Chem Inf Comput Sci 29 163 172
    • (1989) J Chem Inf Comput Sci , vol.29 , pp. 163-172
    • Vellarkad, N.1    Viswanadhan, V.N.2    Ghose, A.K.3    Revenkar, R.4    Robins, R.N.5
  • 22
    • 33750330064 scopus 로고    scopus 로고
    • 2D and 3D quantitative structure-activity relationship studies on a series of bis-pyridinium compounds as choline kinase inhibitors
    • DOI 10.1002/qsar.200530199
    • S Janardhan P Srivani GN Sastry 2006 2D and 3D quantitative structure-activity relationship studies on a series of bis-pyridinium compounds as choline kinase inhibitors QSAR Comb Sci 25 860 872 10.1002/qsar.200530199 1:CAS:528:DC%2BD28XhtFKksbfM (Pubitemid 44621663)
    • (2006) QSAR and Combinatorial Science , vol.25 , Issue.10 , pp. 860-872
    • Janardhan, S.1    Srivani, P.2    Sastry, G.N.3
  • 23
    • 34347257750 scopus 로고    scopus 로고
    • Molecular modeling studies of pyridopurinone derivatives-Potential phosphodiesterase 5 inhibitors
    • DOI 10.1016/j.jmgm.2007.01.007, PII S1093326307000083
    • P Srivani E Srinivas R Raghu GN Sastry 2007 Molecular modeling studies of pyridopurinone derivatives - Potential phosphodiesterase 5 Inhibitors J Mol Graph Model 26 378 390 10.1016/j.jmgm.2007.01.007 1:CAS:528:DC%2BD2sXntFyns7o%3D (Pubitemid 46992725)
    • (2007) Journal of Molecular Graphics and Modelling , vol.26 , Issue.1 , pp. 378-390
    • Srivani, P.1    Srinivas, E.2    Raghu, R.3    Sastry, G.N.4
  • 24
    • 34047158651 scopus 로고    scopus 로고
    • Strategies to design pyrazolyl urea derivatives for p38 kinase inhibition: A molecular modeling study
    • DOI 10.1007/s10822-006-9092-9
    • RG Kulkarni P Srivani G Achaiah GN Sastry 2007 Strategies to design of pyrazolyl urea derivatives for p38 kinase inhibition: a molecular modeling study J Comput Aided Mol Design 25 155 166 10.1007/s10822-006-9092-9 (Pubitemid 46510841)
    • (2007) Journal of Computer-Aided Molecular Design , vol.21 , Issue.4 , pp. 155-166
    • Kulkarni, R.G.1    Srivani, P.2    Achaiah, G.3    Sastry, G.N.4
  • 25
    • 41249089027 scopus 로고    scopus 로고
    • Molecular modeling studies of phenoxypyrimidinyl imidazoles as p38 kinase inhibitors using QSAR and docking
    • DOI 10.1016/j.ejmech.2007.06.009, PII S0223523407002589
    • RG Kulkarni G Achaiah GN Sastry 2008 Molecular modeling studies of phenoxypyrimidinyl imidazoles as p38 kinase inhibitors using QSAR and docking Eur J Med Chem 43 830 838 10.1016/j.ejmech.2007.06.009 (Pubitemid 351446153)
    • (2008) European Journal of Medicinal Chemistry , vol.43 , Issue.4 , pp. 830-838
    • Ravindra, G.K.1    Achaiah, G.2    Sastry, G.N.3
  • 26
    • 58849121494 scopus 로고    scopus 로고
    • Potential choline kinase inhibitors: A molecular modeling study of bis-quinolinium compounds
    • 10.1016/j.jmgm.2008.10.010 1:CAS:528:DC%2BD1MXhtlCksbY%3D
    • P Srivani GN Sastry 2009 Potential choline kinase inhibitors: a molecular modeling study of bis-quinolinium compounds J Mol Graph Model 27 676 688 10.1016/j.jmgm.2008.10.010 1:CAS:528:DC%2BD1MXhtlCksbY%3D
    • (2009) J Mol Graph Model , vol.27 , pp. 676-688
    • Srivani, P.1    Sastry, G.N.2
  • 27
    • 79958174812 scopus 로고    scopus 로고
    • SYBYL 6.9. Molecular Modeling Software, Tripos Inc, 1699 Hanley Road, St Louis, MO 63144
    • SYBYL 6.9. Molecular Modeling Software, Tripos Inc, 1699 Hanley Road, St Louis, MO 63144
  • 28
    • 0030599010 scopus 로고    scopus 로고
    • A fast flexible docking method using an incremental construction algorithm
    • DOI 10.1006/jmbi.1996.0477
    • M Rarey B Kramer T Lengauer G Klebe 1996 A fast flexible docking method using an incremental construction algorithm J Mol Biol 261 470 489 10.1006/jmbi.1996.0477 1:CAS:528:DyaK28XltlKisLo%3D (Pubitemid 26335901)
    • (1996) Journal of Molecular Biology , vol.261 , Issue.3 , pp. 470-489
    • Rarey, M.1    Kramer, B.2    Lengauer, T.3    Klebe, G.4
  • 29
    • 79958134475 scopus 로고    scopus 로고
    • GOLD, version 2.1; Cambridge Crystallographic Data Centre: Cambridge, UK
    • GOLD, version 2.1; Cambridge Crystallographic Data Centre: Cambridge, UK
  • 30
    • 0031552362 scopus 로고    scopus 로고
    • Development and validation of a genetic algorithm for flexible docking
    • DOI 10.1006/jmbi.1996.0897
    • G Jones P Willet RC Glen AR Leach R Taylor 1997 Development and validation of a genetic algorithm for flexible docking J Mol Biol 267 727 748 10.1006/jmbi.1996.0897 1:CAS:528:DyaK2sXis1KntLo%3D (Pubitemid 27170693)
    • (1997) Journal of Molecular Biology , vol.267 , Issue.3 , pp. 727-748
    • Jones, G.1    Willett, P.2    Glen, R.C.3    Leach, A.R.4    Taylor, R.5
  • 31
    • 34548288600 scopus 로고    scopus 로고
    • Virtual screening in drug discovery - A computational perspective
    • DOI 10.2174/138920307781369427
    • AS Reddy PS Priyadarshini PP Kumar HN Pradeep GN Sastry 2007 Virtual screening in drug discovery - A computational perspective Curr Prot Pept Sci 8 329 351 10.2174/138920307781369427 1:CAS:528:DC%2BD2sXpslKrs70%3D (Pubitemid 47317040)
    • (2007) Current Protein and Peptide Science , vol.8 , Issue.4 , pp. 329-351
    • Reddy, A.S.1    Pati, S.P.2    Kumar, P.P.3    Pradeep, H.N.4    Sastry, G.N.5
  • 32
    • 0037330036 scopus 로고    scopus 로고
    • Crystal structure of the 1:2:2 adduct of piperazine, o-phthalic acid and water
    • 10.2116/analsci.19.333 1:CAS:528:DC%2BD3sXhtlOgtb0%3D
    • ZM Jin YJ Pan L He ZG Li KB Yu 2003 Crystal structure of the 1:2:2 adduct of piperazine, o-phthalic acid and water Anal Sci 19 333 334 10.2116/analsci.19.333 1:CAS:528:DC%2BD3sXhtlOgtb0%3D
    • (2003) Anal Sci , vol.19 , pp. 333-334
    • Jin, Z.M.1    Pan, Y.J.2    He, L.3    Li, Z.G.4    Yu, K.B.5
  • 35
    • 0027968068 scopus 로고
    • CLUSTAL W: Improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
    • JD Thompson DG Higgins TJ Gibson 1994 CLUSTAL W: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice Nucleic Acids Res 22 4673 4680 10.1093/nar/22.22.4673 1:CAS:528:DyaK2MXitlSgu74%3D (Pubitemid 24354800)
    • (1994) Nucleic Acids Research , vol.22 , Issue.22 , pp. 4673-4680
    • Thompson, J.D.1    Higgins, D.G.2    Gibson, T.J.3
  • 37
    • 79958132862 scopus 로고    scopus 로고
    • Accelrys Discovery Studio v2.1.0.8130
    • Accelrys Discovery Studio v2.1.0.8130


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.