Structure Activity Relationship Analysis of Antioxidant Activity of Simple Benzene Carboxylic Acids Group Based on Multiple Linear Regression
| Autor: | Fadilah Fadilah, Retnosari Andrajati, Rafika Indah Paramita, Ernie Hernawati Purwaningsih, Ade Arsianti, Arry Yanuar |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Quantitative structure–activity relationship
Antioxidant medicine.medical_treatment 02 engineering and technology General Chemistry Food chemistry 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Biochemistry Medicinal chemistry 0104 chemical sciences chemistry.chemical_compound chemistry GEOBASE FLUIDEX Drug Discovery Linear regression medicine Environmental Chemistry Structure–activity relationship 0210 nano-technology Benzene |
| Zdroj: | Oriental Journal of Chemistry. 34:2656-2660 |
| ISSN: | 2231-5039 0970-020X |
| DOI: | 10.13005/ojc/340558 |
| Popis: | A multivariate analysis of the quantitative relationship of antioxidant structure and activity of a series of benzoic acid derivatives based on computational chemical properties was calculated. The parameters were obtained from the optimized structure of ionization pKa and hydrophobic ClogP while the compound activity was obtained from the literature. Analysis of the relationship between antioxidant activity and chemical properties of the compound was performed with the SPSS 21 program. The analysis result gives the best equation model as follows: Log 1 / IC50 = –1.514 + 0,516 log P + 0.087 pKa (n = 10 r = 0,962 SE = 0,301 Fcalc./Ftable = 1,422). |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|