2009
DOI: 10.2174/157340609787049299
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CoMFA and CoMSIA 3D QSAR Models for a Series of Cyclic Imides with Analgesic Activity

Abstract: Three-dimensional quantitative structure-activity relationships (3D-QSAR) were performed for a series of analgesic cyclic imides using the CoMFA and CoMSIA methods. Significant correlation coefficients (CoMFA, r2 = 0.95 and q2 = 0.72; CoMSIA, r2 = 0.96 and q2 = 0.76) were obtained, and the generated models were externally validated using test sets. The final QSAR models as well as the information gathered from 3D contour maps should be useful for the design of novel cyclic imides having improved analgesic acti… Show more

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Cited by 9 publications
(3 citation statements)
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“…1 Besides, Schiff bases have various applications in many fields, including analytical chemistry, corrosion inhibitors, dyes, and ligands for metal complexes [9][10][11]. However, cyclic imides are organic compounds because they have biological activity, such as antibacterial, anticancer, analgesic, anti-inflammatory, and antimicrobial activities [12][13][14][15]. Moreover, cyclic imides are essential building blocks for the synthesis of pharmaceuticals, natural products, polymers, and drugs [16][17].…”
Section: Introductionmentioning
confidence: 99%
“…1 Besides, Schiff bases have various applications in many fields, including analytical chemistry, corrosion inhibitors, dyes, and ligands for metal complexes [9][10][11]. However, cyclic imides are organic compounds because they have biological activity, such as antibacterial, anticancer, analgesic, anti-inflammatory, and antimicrobial activities [12][13][14][15]. Moreover, cyclic imides are essential building blocks for the synthesis of pharmaceuticals, natural products, polymers, and drugs [16][17].…”
Section: Introductionmentioning
confidence: 99%
“…Cyclic imides have been attracted much more attention of organic and medicinal chemists due to their biological activities. Most of them are extensively used as analgesic [7], anti-nociceptive agents [8] or as reactants for polymer synthesis [9]. An imide nucleus can also be found in a structure of anxiolytic, antimicrobial, anticancer and anti-inflammatory substances [10][11][12].…”
Section: Introductionmentioning
confidence: 99%
“…Cyclic imides have great importance because their various compounds have a wide range of biological activities, [26,27].…”
Section: -Introductionmentioning
confidence: 99%