creators_name: JÄNTSCHI, Lorentz creators_name: BOLBOACA, Sorana D. creators_id: lori@academicdirect.org creators_id: sbolboaca@umfcluj.ro editors_name: OLINIC, Nour C. type: journalp datestamp: 2007-10-12 16:39:19 lastmod: 2011-03-11 08:56:58 metadata_visibility: show title: Antiallergic Activity of Substituted Benzamides: Characterization, Estimation and Prediction ispublished: pub subjects: comp-sci-stat-model full_text_status: public keywords: Molecular Descriptors Family on Structure-Activity Relationships (MDF-SAR); Substituted N 4-methoxyphenyl benzamides; Antiallergic activity; Multiple linear regression (MLR) abstract: Antiallergic activity of twenty-three substituted N 4-methoxyphenyl benzamides was model by the use of an original methodology. After sketching out the compounds structure and creating the file with the observed activities, strictly based on compounds structure, the molecular descriptors family was generated and descriptors entered into a multiple linear regression analysis. The multi-varied model with four descriptors proved to render higher ability in estimation (squared correlation coefficient, r2 = 0.9986) as well as in prediction (cross-validation leave-one-out score, r2cv-loo = 0.9956) of antiallergic activity of compounds, obtained significantly greater correlation coefficient compared with the previously reported model (p < 0.01). Characterization of antiallergic activity of substituted N 4-methoxyphenyl benzamides by integration of complex structure information provides a stable and efficient multi-varied model with four descriptors. According with the multi-varied model with four descriptors the antiallergic activity of substituted N 4-methoxyphenyl benzamides is like to be of geometry nature, depending by the number of directly bonded hydrogen’s, and the atomic relative mass, being in relation with the partial charge of compounds. date: 2007-06-01 date_type: published publication: Clujul Medical volume: LXXX number: 1 publisher: Editura U.M.F. Iuliu Hatieganu Cluj Napoca pagerange: 125-132 refereed: TRUE referencetext: Hatzelmann A, Schudt C. Anti-inflammatory and immunomodulatory potential of the novel PDE4 inhibitor roflumilast in vitro. J Pharmacol Exp Ther 2001;297(1):267-79. Carbonnelle D, Ebstein F, Rabu C, Petit JY, Gregoire M, Lang F. A new carboxamide compound exerts immunosuppressive activity by inhibiting dendritic cell maturation. Eur J Immunol 2005;35(2):546-56. Suzuki K, Nagasawa H, Uto Y, Sugimoto Y, Noguchi K, Wakida M & all. Napthalimidobenzamide DB-51630: A novel DNA binding agent inducing p300 gene expression and exerting a potent anti-cancer activity. Bioorg Med Chem 2005;13(12):4014-21. Simonini MV, Camargo LM, Dong E, Maloku E, Veldic M, Costa E, Guidotti A. The benzamide MS-275 is a potent, long-lasting brain region-selective inhibitor of histone deacetylases. Proc Natl Acad Sci U S A 2006; 31;103(5):1587-92. Yu-xin Zhou, Lu Xu, Ya-ping Wu, Bai-li Liu. A QSAR study of the antiallergic activities of substituted benzamides and their structures. Chemometrics and Intelligent Laboratory Systems 1999;45:95-100. Malík I, Sedlárová E, Andriamainty F, Csöllei J. Relationship between structure and biological activity of benzamide derivatives. Farmaceuticky Obzor 2006; 75(1):3-9. Jäntschi L., Molecular Descriptors Family on Structure Activity Relationships 1. The review of Methodology, Leonardo Electronic Journal of Practices and Technologies 2005;6:76-98. ***, HyperChem , Molecular Modelling System [Internet page]; 2003, Hypercube, Inc. [cited 2005 May]. Available from: URL: http://hyper.com/products/ Diudea M, Gutman I, Jäntschi L. Molecular Topology, Nova Science, Huntington, New York 2001. Jäntschi L, Katona G, Diudea M. Modeling Molecular Properties by Cluj Indices, Commun Math Comput Chem 2000;41:151-88. ***, Leave-one-out Analysis. ©2005, Virtual Library of Free Software [cited 2005 Nov]. Available from: URL: http://vl.academicdirect.org/molecular_topology/ mdf_findings/loo/ Steiger JH. Tests for comparing elements of a correlation matrix. Psychol Bull 1980;87: 245-51. ***, MDF SAR Predictor, © 2005, Virtual Library of Free Software. [cited 2006 February]. Available from: URL: http://vl.academicdirect.org/molecular_ topology/mdf_findings/sar citation: JÄNTSCHI, Dr. Lorentz and BOLBOACA, Dr. Sorana D. (2007) Antiallergic Activity of Substituted Benzamides: Characterization, Estimation and Prediction. [Journal (Paginated)] document_url: http://cogprints.org/5744/1/work_list.pdf