Comparative QSAR Study on Para-substituted Aromatic Sulphonamides as CAII Inhibitors: Information vs. Topological (distance-based and connectivity) Indices

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dc.contributor.authorSingh, Jyoti
dc.contributor.authorShaik, Basheerulla
dc.contributor.authorSingh, Shalini
dc.contributor.authorAgrawal, Vijay K.
dc.contributor.authorKhadikar, Padmakar V.
dc.contributor.authorDeeb, Omar
dc.contributor.authorSupuran, Claudiu T.
dc.date.accessioned2018-09-18T11:59:16Z
dc.date.available2018-09-18T11:59:16Z
dc.date.issued2008-01-19
dc.description.abstractComparative quantitative structure–activity relationship studies on para-substituted aromatic sulphonamides carbonic anhydrase II (CAII) inhibitors are reported in this paper. The study is made utilizing (i) information indices along; (ii) distance-based and connectivity indices and (iii) combination of information, distance-based and connectivity type topological indices. The study has shown that distance- based and connectivity type indices are superior for modelling, monitoring and estimating CAII inhibition. The results are critically discussed using a variety of statistical parameters. Our results show that starting from the mono-parametric regression itself, our results are superior: Furthermore, our methodology allowed carrying out much higher-parametric regressions, yielding a nine-parametric model with R2 as high as 0.8375. The eightparametric regression, gave R2 = 0.8343. As there is not much difference, we have considered the eight-parametric regression the best.en_US
dc.description.sponsorshipOne of the authors, Shalini Singh expresses her thanks to the Department of Science & Technology, Government of India, New Delhi, for awarding D ST project SR ⁄ WOS-A ⁄ CS ⁄ 61 ⁄ 2004 under Woman Scientists scheme and to Principal for his interest and for providing facility to carry out this work.en_US
dc.identifier.issn1747-0285
dc.identifier.urihttps://dspace.alquds.edu/handle/20.500.12213/950
dc.language.isoen_USen_US
dc.publisherJohn Wiley & Sons Ltden_US
dc.subjectaromatic sulphonamidesen_US
dc.subjectcarbonic anhydrase IIen_US
dc.subjectinformation indicesen_US
dc.subjectQSARen_US
dc.subjectregression analysisen_US
dc.subjecttopological indicesen_US
dc.titleComparative QSAR Study on Para-substituted Aromatic Sulphonamides as CAII Inhibitors: Information vs. Topological (distance-based and connectivity) Indicesen_US
dc.typeArticleen_US
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