Some 1-(4-chlorophenyl or benzenesulfonamide)-2,3- and/or 4-substituted-1H-pyrazol-5(4H)-one derivatives were synthesized and screened for their anti-inflammatory and analgesic activities, in addition to their ulcerogenic liability. They were found to be active as anti-inflammatory and analgesic agents. Compound 6b was found to be the most active as anti-inflammatory agent and compound 9b was f...

The epidermal growth factor receptor (EGFR) protein tyrosine kinase (PTK) is an important protein target for anti-tumor drug discovery. To identify potential EGFR inhibitors, we conducted a quantitative structure-activity relationship (QSAR) study on the inhibitory activity of a series of quinazoline derivatives against EGFR tyrosine kinase. Two 2D-QSAR models were developed based on the best m...

a Department of Organic Chemistry, University of Santiago de Compostela, 15782, Spain. b Chemical Bioactives Center and Department of Veterinary Medicine, Central University of ‘Las Villas’, 54830, Cuba. c Department of Ultrasound Medicine, Calixto, Las Tunas, 77400, Cuba. ______________________________________________________________________________ Abstract. The general belief is that quantit...

Abstract: Background: Prostate cancer is one of the leading causes death. Though many drugs are being used as effective anticancer agents resistance and side effects necessitates development target selective safe agents. Objectives: The objectives our work were to identify important pharmacophoric features correlate structure Trifluoro substituted pyrimidine predict their activity using QSAR, p...

SUMMAARY. Diuretics are an attractive class of drugs for the treatment of various disorders and in combination with some cardiovascular drugs. In the present work, 2D and 3D quantitative structure-activity relationship studies have been conducted on a series of diuretics. Significant correlation coefficients (r2 = 0.81 and q2 = 0.65, r2 = 0.91 and q2 = 0.85) were obtained, indicating potential ...

Com o objetivo de melhor entender as informações paramétricas contidas em descritores bidimensionais (2D) e tridimensionais (3D), os escores de 87 descritores 2D e 798 variáveis 3D (ALMOND) obtidos de uma série de 5998 compostos de interesse em química medicinal, foram analisados através de análise de componentes principais. A fração de variância explicada (r) e a validação cruzada (q) para set...