A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity

A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity

The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs) and molecular docking were used to investigate the interaction between ligands and the...

Full description

Bibliographic Details
Main Authors: Cleydson Breno R. Santos, Josinete B. Vieira, Cleison C. Lobato, Lorane I. S. Hage-Melim, Raimundo N. P. Souto, Clarissa S. Lima, Elizabeth V. M. Costa, Davi S. B. Brasil, Williams Jorge C. Macêdo, José Carlos T. Carvalho
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Molecules
Subjects:
artemisinin
antimalarial activity
HF/6-31G**
molecular docking
MEPs
SAR
QSAR
Online Access:http://www.mdpi.com/1420-3049/19/1/367

Internet

http://www.mdpi.com/1420-3049/19/1/367

Similar Items