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...
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 |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2013-12-01
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Series: | Molecules |
Subjects: | |
Online Access: | http://www.mdpi.com/1420-3049/19/1/367 |
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