A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity

A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity

The Density Functional Theory (DFT) method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with different degrees of cytotoxicity against the human hepatocellular carcinoma HepG2 line. Principal component analysis (PCA) and hierarchical...

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Bibliographic Details
Main Authors: Josinete B. Vieira, Francinaldo S. Braga, Cleison C. Lobato, César F. Santos, Josivan S. Costa, José Adolfo H. M. Bittencourt, Davi S. B. Brasil, Jocivânia O. Silva, Lorane I. S. Hage-Melim, Williams Jorge C. Macêdo, José Carlos T. Carvalho, Cleydson Breno R. Santos
Format: Article
Language:English
Published: MDPI AG 2014-07-01
Series:Molecules
Subjects:
artemisinin
anticancer activity
molecular modeling
B3LYP/6-31G**
QSAR
Online Access:http://www.mdpi.com/1420-3049/19/8/10670

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