Quantitative Relationships between structures of flavonoids, antioxidative effects and energy based on conceptual DFT molecular fields
A quantitative structure activity relationship (QSAR) study of twenty four flavonoid derivatives with antioxidants activity was performed by best multi linear regression method (BMLR),using HOMOLOMO and Fukui indices descriptors. These indices are obtained at DFT/B3LYP level of chemical quantum t...
Main Authors: | H. DJERADI, A. RAHMOUNI, A. CHERITI |
---|---|
Format: | Article |
Language: | English |
Published: |
Phytochemistry & Organic Synthesis Laboratory
2019-03-01
|
Series: | PhytoChem & BioSub Journal |
Online Access: | https://drive.google.com/file/d/1p9dt3RAoyBAkUcJHzs_Fux2BbH1W1Twf/view?usp=sharing |
Similar Items
-
Contribution to the study of antioxidant activity for flavonoids compounds. Application for QSAR modeling.
by: DJERADI H, et al.
Published: (2014-12-01) -
HOMO-LUMO analysis of pentacyclic terpenoid based on DFT calculation
by: Houria Djeradi, et al.
Published: (2020-04-01) -
Quantitative Structure-Activity Relationship of Flavonoid Antioxidants
by: Yeong-Sheng Chang, et al.
Published: (2005) -
Atropisomerism at C ̶ N bonds: Structural conformations and vibrational spectral study of Iminothiazoline Derivatives with density functional theoretical optimizations
by: F.Z. MIMOUNI, et al.
Published: (2013-03-01) -
Quantitative Structure – Antioxidant Activity Relationships of Flavonoid Compounds
by: Károly Héberger, et al.
Published: (2004-12-01)