A Quantitative Structure-Activity Relationships (QSAR) study of piperine based derivatives with leishmanicidal activity
نویسندگان
چکیده
منابع مشابه
a density function theory based quantitative structure activity relationships study of thiazoline derivatives as anticancer agents
the quantitative structure–activity relationship of a series of novel thiazoline derivatives with anticancer activity has been studied by using the density functional theory by b3lyp/ 6-31g. descriptors of quantum mechanics of 21 thiazoline derivatives with known activity were obtained. multiple linear regressions were employed to model the relationships between molecular descriptors and biolog...
متن کاملa quantitative structure-activity relationship (qsar) study of some diaryl urea derivatives of b-raf inhibitors
in the current study, both ligand-based molecular docking and receptor-based quantitative structure activity relationships (qsar) modeling were performed on 35 diaryl urea derivative inhibitors of v600e b-raf. in this qsar study, a linear (multiple linear regressions) and a nonlinear (partial least squares least squares support vector machine (pls-ls-svm)) were used and compared. the predictive...
متن کاملLeishmanicidal Activity and Structure-Activity Relationships of Essential Oil Constituents.
Several constituents of essential oils have been shown to be active against pathogens such as bacteria, fungi, and protozoa. This study demonstrated the in vitro action of ten compounds present in essential oils against Leishmania amazonensis promastigotes. With the exception of p-cymene, all evaluated compounds presented leishmanicidal activity, exhibiting IC50 between 25.4 and 568.1 μg mL-1. ...
متن کاملQuantitative Structure-Activity Relationships (QSAR) of 4-Amino-2,6-diarylpyrimidine- 5-carbonitriles with Anti-inflammatory Activity
As atividades antiinflamatórias de oito compostos 4-amino-2,6-diarilpirimidina-5-carbonitrilas foram sujeitas a uma análise QSAR baseada nos resultados de cálculos de estrutura eletrônica B3LYP/6-31G(d,p) e AM1. Análise de Componentes Principais e regressões baseados nesses dados indicam que compostos potencialmente mais ativos teriam menores valores de momentos de dipolo e de coeficientes de p...
متن کاملStructure-radical scavenging activity relationships of hydroxytoluene derivatives
Research works proposed that radical scavenging activity of flavonoids is due to ring B, andthe remaining part of the molecule can be disregarded. Thus the objective of this work is toobserve whether hydroxytoluenes account the radical scavenging activity of flavonoid and toestablish structural requirements for their activity (as they showed appreciable activity) andelucidate a comprehensive me...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Orbital - The Electronic Journal of Chemistry
سال: 2017
ISSN: 1984-6428
DOI: 10.17807/orbital.v9i1.893