3D-QSAR and preliminary evaluation of anti-inflammatory activity of series of N-pyrrolylcarboxylic acids
| Autor: | Ilza Pajeva, Adriana Bocheva, Iglika Lessigiarska, Atanas Nankov, Atanas Bijev |
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| Rok vydání: | 2004 |
| Předmět: |
Quantitative structure–activity relationship
medicine.drug_class Indomethacin Anti-Inflammatory Agents Pharmaceutical Science Quantitative Structure-Activity Relationship Pharmacology Field analysis Carrageenan Anti-inflammatory Structure-Activity Relationship In vivo Edema Drug Discovery medicine Potency Animals Cyclooxygenase Inhibitors Pyrroles Binding Sites Cyclooxygenase 2 Inhibitors Dose-Response Relationship Drug Chemistry Reference drug Rats Cyclooxygenase 2 Prostaglandin-Endoperoxide Synthases medicine.symptom |
| Zdroj: | Farmaco (Societa chimica italiana : 1989). 60(3) |
| ISSN: | 0014-827X |
| Popis: | The present study focuses on development of new potential inhibitors of cyclooxygenase-2 (COX-2): series of N-pyrrolylcarboxylic acids. 3D-QSAR (Quantitative Structure-Activity Relationship) CoMFA (Comparative Molecular Field Analysis) and CoMSIA (Comparative Molecular Similarity Index Analysis) models for predicting inhibitory activities against COX-1 and COX-2 as well as for evaluating in vivo anti-inflammatory activity were obtained and used for preliminary screening of new anti-inflammatory N-pyrrolylcarboxylic acids. Nine compounds were selected for in vivo testing and evaluated for their potency to decrease carrageenin-induced edema in rats. The compounds were applied i.p. at doses 20 mg/kg and 40 mg/kg and p.o. at doses 10 mg/kg and 40 mg/kg. Six compounds showed more than 70% protection of the edema. Indomethacin (2 mg/kg i.p.), used as a reference drug, possessed 54% anti-inflammatory activity under similar experimental conditions. |
| Databáze: | OpenAIRE |
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