메뉴 건너뛰기




Volumn 71, Issue 3, 2008, Pages 244-259

Comparative QSAR study on para-substituted aromatic sulphonamides as CAII inhibitors: Information versus topological (distance-based and connectivity) indices

Author keywords

Aromatic sulphonamides; Carbonic anhydrase II; Information indices; QSAR; Regression analysis; Topological indices

Indexed keywords

CARBONATE DEHYDRATASE INHIBITOR; SULFONAMIDE;

EID: 38849136034     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2007.00625.x     Document Type: Article
Times cited : (26)

References (37)
  • 1
    • 5144224910 scopus 로고    scopus 로고
    • Development of sulfonamide carbonic anhydrase inhibitors (CAIs)
    • In: Supuran, C.T., Scozzafava, A., Conway, J., editors. Boca Raton (FL): CRC Press. p.
    • Supuran C.T., Scozzafava A., Casini A. (2004) Development of sulfonamide carbonic anhydrase inhibitors (CAIs). In : Supuran C.T., Scozzafava A., Conway J., editors. Carbonic Anhydrase, Its Inhibitors and Activators. Boca Raton (FL) : CRC Press p. 67.
    • (2004) Carbonic Anhydrase, Its Inhibitors and Activators. , pp. 67
    • Supuran, C.T.1    Scozzafava, A.2    Casini, A.3
  • 2
    • 33846185562 scopus 로고    scopus 로고
    • A perspective on quantitative structure-activity relationships and carbonic anhydrase inhibitors
    • Clare B.W., Supuran C.T. (2006) A perspective on quantitative structure-activity relationships and carbonic anhydrase inhibitors. Expert Opin Drug Metab Toxicol 2 : 113 137.
    • (2006) Expert Opin Drug Metab Toxicol , vol.2 , pp. 113-137
    • Clare, B.W.1    Supuran, C.T.2
  • 3
    • 8544254107 scopus 로고
    • Structural determination of paraffins boiling points
    • Wiener H. (1947) Structural determination of paraffins boiling points. J Am Chem Soc 69 : 17 20.
    • (1947) J Am Chem Soc , vol.69 , pp. 17-20
    • Wiener, H.1
  • 4
    • 8644280181 scopus 로고
    • On characterization of molecular branching
    • Randic M. (1975) On characterization of molecular branching. J Amer Chem Soc 97 : 6609 6615.
    • (1975) J Amer Chem Soc , vol.97 , pp. 6609-6615
    • Randic, M.1
  • 5
    • 0034784262 scopus 로고    scopus 로고
    • The coonectivity index 25 years the connectivity index 25 years after
    • Randic M. (2001) The coonectivity index 25 years The connectivity index 25 years after. J Mole Graph Model 20 : 19 35.
    • (2001) J Mole Graph Model , vol.20 , pp. 19-35
    • Randic, M.1
  • 6
    • 0016771380 scopus 로고
    • Molecular connectivity. I: Relation to non-specific anesthesia
    • Kier L.B., Hall L.H., Murray W.J., Randic M. (1975) Molecular connectivity. I: Relation to non-specific anesthesia. J Pharm Sci 64 : 1971 1974.
    • (1975) J Pharm Sci , vol.64 , pp. 1971-1974
    • Kier, L.B.1    Hall, L.H.2    Murray, W.J.3    Randic, M.4
  • 11
    • 0029408783 scopus 로고
    • An algorithm for the calculation of the szeged index of benzenoid hydrocarbons
    • Gutman I., Klavzar S. (1995) An algorithm for the calculation of the szeged index of benzenoid hydrocarbons. J Chem Inf Comput Sci 35 : 1011 1014.
    • (1995) J Chem Inf Comput Sci , vol.35 , pp. 1011-1014
    • Gutman, I.1    Klavzar, S.2
  • 12
    • 0001623253 scopus 로고    scopus 로고
    • On a novel structural descriptor PI
    • Khadikar P.V. (2000) On a novel structural descriptor PI. Nat Acad Sci Lett 23 : 113 118.
    • (2000) Nat Acad Sci Lett , vol.23 , pp. 113-118
    • Khadikar, P.V.1
  • 13
    • 0035385130 scopus 로고    scopus 로고
    • A Novel PI index and its applications to QSPR/QSAR studies
    • Khadikar P.V., Karmarkar S., Agrawal V.K. (2001) A Novel PI index and its applications to QSPR/QSAR studies. J Chem Inf Comput Sci 41 : 934 949.
    • (2001) J Chem Inf Comput Sci , vol.41 , pp. 934-949
    • Khadikar, P.V.1    Karmarkar, S.2    Agrawal, V.K.3
  • 15
  • 16
    • 33845448574 scopus 로고    scopus 로고
    • PI index of some benzenoid graph
    • Ashrafi A.R., Loghman A. (2006) PI index of some benzenoid graph. J Chilean Chem Soc 51 : 968 970.
    • (2006) J Chilean Chem Soc , vol.51 , pp. 968-970
    • Ashrafi, A.R.1    Loghman, A.2
  • 18
    • 34250347180 scopus 로고    scopus 로고
    • A method for computing the pi index of benzenoid hydrocarbons using orthogonal cuts
    • John P.E., Khadikar P.V., Singh J. (2007) A method for computing the pi index of benzenoid hydrocarbons using orthogonal cuts. J Math Chem 42 : 37 47.
    • (2007) J Math Chem , vol.42 , pp. 37-47
    • John, P.E.1    Khadikar, P.V.2    Singh, J.3
  • 22
    • 23244456052 scopus 로고    scopus 로고
    • Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: Dominating role of Balaban index (J)
    • Balaban A.T., Khadikar P.V., Supuran C.T., Thakur A., Thakur M. (2005) Study on supramolecular complexing ability vis-à-vis estimation of pKa of substituted sulfonamides: dominating role of Balaban index (J). Bioorg Med Chem Lett 15 : 3966 3973.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 3966-3973
    • Balaban, A.T.1    Khadikar, P.V.2    Supuran, C.T.3    Thakur, A.4    Thakur, M.5
  • 23
    • 33845414701 scopus 로고    scopus 로고
    • QSAR study on murine recombinant isozyme mCAXIII: Topological vs structural descriptors
    • Singh J., Lakhwani M., Khadikar P.V., Agrawal V.K., Supuran C.T. (2006) QSAR study on murine recombinant isozyme mCAXIII: topological vs structural descriptors. Arkivoc 14 : 103 118.
    • (2006) Arkivoc , vol.14 , pp. 103-118
    • Singh, J.1    Lakhwani, M.2    Khadikar, P.V.3    Agrawal, V.K.4    Supuran, C.T.5
  • 25
    • 33750044070 scopus 로고    scopus 로고
    • Development of quantitative structure-activity relationship for a set of carbonic anhydrase inhibitors: Use of quantum and chemical descriptors
    • Khadikar P.V., Deeb O., Jaber A., Singh J., Lakhwani M. (2006) Development of quantitative structure-activity relationship for a set of carbonic anhydrase inhibitors: use of quantum and chemical descriptors. Lett Drug Des Discovery 3 : 622 635.
    • (2006) Lett Drug des Discovery , vol.3 , pp. 622-635
    • Khadikar, P.V.1    Deeb, O.2    Jaber, A.3    Singh, J.4    Lakhwani, M.5
  • 26
    • 33144483831 scopus 로고    scopus 로고
    • QSAR study on topically acting sulfonamides incorporating GABA moieties: A molecular connectivity approach
    • Agrawal V.K., Singh J., Khadikar P.V., Supuran C.T. (2006) QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach. Bioorg Med Chem Lett 16 : 2044 2051.
    • (2006) Bioorg Med Chem Lett , vol.16 , pp. 2044-2051
    • Agrawal, V.K.1    Singh, J.2    Khadikar, P.V.3    Supuran, C.T.4
  • 27
    • 9644307847 scopus 로고    scopus 로고
    • QSAR study on pKa vis-à-vis physiological activity of sulfonamides: A dominating role of surface tension (inverse steric parameter)
    • Thakur A., Thakur M., Khadikar P.V., Supuran C.T. (2005) QSAR study on pKa vis-à-vis physiological activity of sulfonamides: a dominating role of surface tension (inverse steric parameter). Bioorg Med Chem Lett 15 : 203 209.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 203-209
    • Thakur, A.1    Thakur, M.2    Khadikar, P.V.3    Supuran, C.T.4
  • 28
    • 16244422643 scopus 로고    scopus 로고
    • Novel use of chemical shift in NMR as molecular descriptor: A first report on modeling carbonic anhydrase inhibitory activity and related parameters
    • Khadikar P.V., Sharma V., Karmarkar S., Supuran C.T. (2005) Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters. Bioorg Med Chem Lett 15 : 931 936.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 931-936
    • Khadikar, P.V.1    Sharma, V.2    Karmarkar, S.3    Supuran, C.T.4
  • 29
    • 16244374918 scopus 로고    scopus 로고
    • QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: Need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II
    • Khadikar P.V., Sharma V., Karmarkar S., Supuran C.T. (2005) QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II. Bioorg Med Chem Lett 15 : 923 930.
    • (2005) Bioorg Med Chem Lett , vol.15 , pp. 923-930
    • Khadikar, P.V.1    Sharma, V.2    Karmarkar, S.3    Supuran, C.T.4
  • 30
    • 34047204872 scopus 로고    scopus 로고
    • Modeling the inhibitory activity of carbonic anhydrase IV of substituted thindizole and thiadiazoline disulphonamides: Integrretion of structural information
    • Jantschi L., Bolboaca S.D. (2006) Modeling the inhibitory activity of carbonic anhydrase IV of substituted thindizole and thiadiazoline disulphonamides: integrretion of structural information. Rev Electron Biomed/Electron J Biomed 2 : 22 33.
    • (2006) Rev Electron Biomed/Electron J Biomed , vol.2 , pp. 22-33
    • Jantschi, L.1    Bolboaca, S.D.2
  • 31
    • 30344443103 scopus 로고    scopus 로고
    • QSAR study on para-substituted aromatic sulphonamides as carbonic anhydrase II inhibition using topological information indices
    • Melagraki G., Afantitis A., Sarimveis H., Igglessi-Marapouln O., Supuran C.T. (2006) QSAR study on para-substituted aromatic sulphonamides as carbonic anhydrase II inhibition using topological information indices. Bioorg Med Chem 14 : 1108 1114.
    • (2006) Bioorg Med Chem , vol.14 , pp. 1108-1114
    • Melagraki, G.1    Afantitis, A.2    Sarimveis, H.3    Igglessi-Marapouln, O.4    Supuran, C.T.5
  • 32
    • 8544273215 scopus 로고    scopus 로고
    • QSAR study using topological indices for inhibition of anhydrase II by sulphonamides and Schiff's base
    • Balaban A.T., Basak S.C., Beteringhe A., Mills D., Supuran C.T. (2004) QSAR study using topological indices for inhibition of anhydrase II by sulphonamides and Schiff's base. Mol divers 8 : 401 412.
    • (2004) Mol Divers , vol.8 , pp. 401-412
    • Balaban, A.T.1    Basak, S.C.2    Beteringhe, A.3    Mills, D.4    Supuran, C.T.5
  • 33
    • 0000570190 scopus 로고    scopus 로고
    • On characterization of chemical structure
    • Randic M. (1997) On characterization of chemical structure. J Chem Inf Comput Sci 37 : 672.
    • (1997) J Chem Inf Comput Sci , vol.37 , pp. 672
    • Randic, M.1
  • 34
    • 0000587872 scopus 로고    scopus 로고
    • On characterization of molecular attributs
    • Randic M. (1998) On characterization of molecular attributs. Acta Chim Slov 45 : 239.
    • (1998) Acta Chim Slov , vol.45 , pp. 239
    • Randic, M.1
  • 35
    • 33750061756 scopus 로고    scopus 로고
    • QSAR study on binding constants of benzenesulfonamaides to human CA II: Need or otherwise of hydrophobic parameter
    • Khadikar P.V., Mandloi D. (2004) QSAR study on binding constants of benzenesulfonamaides to human CA II: need or otherwise of hydrophobic parameter. Bioinformatics, India 2 : 86 91.
    • (2004) Bioinformatics, India , vol.2 , pp. 86-91
    • Khadikar, P.V.1    Mandloi, D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.