QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters

• Autorzy: Supratim Ray , Chandana Sengupta , Kunal Roy
• Języki publikacji: EN

Abstrakty

EN

In the present study, Quantitative Structure-Activity Relationship (QSAR) modeling has been carried out for lipid peroxidation (LPO)-inhibition potential of a set of 27 flavonoids, using structural and topological parameters. For the development of models, three methods were used: (1) stepwise regression, (2) factor analysis followed by multiple linear regressions (FA-MLR) and (3) partial least squares (PLS) analysis. The best equation was obtained from stepwise regression analysis (Q2 = 0.626) considering the leave-oneout prediction statistics. [...]

Słowa kluczowe

EN

Flavonoids; QSAR; Topological descriptors

• Czasopismo: Open Chemistry
• Rocznik: 2008
• Tom: 6
• Numer: 2
• Strony: 267-276

Daty

wydano

2008-06-01

online

2008-04-17

Twórcy

autor

Supratim Ray

• Drug Theoretics and Cheminformatics Lab, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, 700 032, India

autor

Chandana Sengupta

• Drug Theoretics and Cheminformatics Lab, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, 700 032, India

autor

Kunal Roy

• Drug Theoretics and Cheminformatics Lab, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, 700 032, India,

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Identyfikatory

DOI

10.2478/s11532-008-0014-7