• Home
  1. Home
  2. Correlating the molecular electrostatic potentials of some organic peroxides with their antimalarial activities
Scientific article
English

Correlating the molecular electrostatic potentials of some organic peroxides with their antimalarial activities

Contributors

Jefford, Charles; Grigorov, Martin; Weber, Jacques; Luethi, Hans Peter; Tronchet, Jean Marcel Julien

Published in

Journal of chemical information and computer sciences, vol. 40, no. 2, p. 354-357

Publication date

2000

Abstract

The molecular electrostatic potentials (MEPs) of artemisinin (also known as qinghaosu), yingzhaosu A, and some synthetic analogues have been calculated and studied as a means of distinguishing between high and low antimalarial activity. To facilitate comparison, the dimensionality of the MEP was reduced by Kohonen Neural Network transforms. The reduction revealed that peroxides exhibiting high antimalarial activity are characterized by a continuous strip of negative electric potential surrounding the molecule, whereas peroxides of lesser activity show a broken strip.

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

JEFFORD, Charles et al. Correlating the molecular electrostatic potentials of some organic peroxides with their antimalarial activities. In: Journal of chemical information and computer sciences, 2000, vol. 40, n° 2, p. 354–357. doi: 10.1021/ci990276u

Identifiers

Additional URL for this publication

http://pubs.acs.org/cgi-bin/article.cgi/jcisd8/2000/40/i02/pdf/ci990276u.pdf

Journal ISSN

0095-2338
696views
0downloads

Technical informations

Creation

21/09/2009 16:21:49

First validation

21/09/2009 16:21:49

Update

14/03/2023 15:13:54

Status update

14/03/2023 15:13:54

Last indexation

29/10/2024 12:12:42
All rights reserved by Archive ouverte UNIGE and the University of Geneva
OpenAIRE Indexed & Validated