[ Étude in silico des effets inhibitrices des Oleuropein, Kaempferol, et Quercetin sur le Protéine VP30 de Ebola Virus ]
Volume 8, Issue 4, October 2014, Pages 1566–1573
Yassine Kasmi1
1 Department of Biology, Faculty Polydisciplinary Safi, Cadi Ayyad University, Morocco
Original language: French
Copyright © 2014 ISSR Journals. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Ebola is a severe viral disease that spreads in West Africa countries, whose a search of an effective Drug is a necessity. The VP30 protein is known as an essential activator of transcription for Ebola virus. In another, Oleuropein, Kaempferol, and Quercetin are a bio-active components, originally from several plants, and which are known by their ability of inhibiting viral transcription activators such HIV. In this context we tested in silico by molecular modeling the ability of these substrates to inhibit VP30 by Building in the active sites, and the application of new pharmaceutical compounds, although direct manipulation in vitro or in vivo is limited by the terms of Biosafety - it is reserved for laboratory level BSL-4 - which slow the search process. The Oleuropein, Kaempferol, and Quercetin components are linked with the active sites of VP30 with a free energy score estimated near -8Kacl / mol and an average distance of 1.8 angstrom. We conclude that Oleuropein, Kaempferol, and Quercetin components may be effective treatment for Ebola Virus and essentially Kaempferol which has very ambitious Pharmacodynamics and kinetic owners, the things that make the component to be a candidate to be an effective Drug. Other experimental studies in vitro and in vivo are required to confirm.
Author Keywords: Ebola Virus, docking, Oleuropein, Kaempferol, et Quercetin, ligand, inhibitor.
Volume 8, Issue 4, October 2014, Pages 1566–1573
Yassine Kasmi1
1 Department of Biology, Faculty Polydisciplinary Safi, Cadi Ayyad University, Morocco
Original language: French
Copyright © 2014 ISSR Journals. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract
Ebola is a severe viral disease that spreads in West Africa countries, whose a search of an effective Drug is a necessity. The VP30 protein is known as an essential activator of transcription for Ebola virus. In another, Oleuropein, Kaempferol, and Quercetin are a bio-active components, originally from several plants, and which are known by their ability of inhibiting viral transcription activators such HIV. In this context we tested in silico by molecular modeling the ability of these substrates to inhibit VP30 by Building in the active sites, and the application of new pharmaceutical compounds, although direct manipulation in vitro or in vivo is limited by the terms of Biosafety - it is reserved for laboratory level BSL-4 - which slow the search process. The Oleuropein, Kaempferol, and Quercetin components are linked with the active sites of VP30 with a free energy score estimated near -8Kacl / mol and an average distance of 1.8 angstrom. We conclude that Oleuropein, Kaempferol, and Quercetin components may be effective treatment for Ebola Virus and essentially Kaempferol which has very ambitious Pharmacodynamics and kinetic owners, the things that make the component to be a candidate to be an effective Drug. Other experimental studies in vitro and in vivo are required to confirm.
Author Keywords: Ebola Virus, docking, Oleuropein, Kaempferol, et Quercetin, ligand, inhibitor.
Abstract: (french)
Ebola virus c'est une sévère maladie virale qui se propage dans les pays West d'Afrique, dont la recherche des Drug efficaces est une nécessité. La protéine VP30 est connue comme un activateur indispensable pour Ebola Virus. En outre Oleuropein, Kaempferol, et Quercetin sont des composants Bioactives de plusieurs végétaux, et qui sont connus par leur capacité inhibitrice des Activateurs de transcription viraux telle de VIH. Dans ce contexte nous testions par modélisation moléculaire in silico la capacité de ces substrats à inhiber la VP30 par Building dans les sites actifs, malgré que la manipulation directe in vitro ou in vivo est limité par les conditions de Biosécurité – dont elle est réservée pour laboratoire de niveau BSL-4 - ce qui retarde le processus de recherche. Les composants Oleuropein, Kaempferol, et Quercetin sont liés avec les sites actifs de VP30 avec un score d'énergie libre estimé près -8Kacl/mol, et une distance moyenne de 1.8 angström. Nous concluons que Oleuropein, Kaempferol, et Quercetin peuvent être des composants thérapeutiques efficaces pour Ebola Virus et essentiellement Kaempferol qui a des propriétaires pharmacodynamiques et cinétiques très ambitieux, les choses qui font le composant de se porter candidat pour être un Drug efficace, et que des confirmations in vitro et in vivo sont nécessaires.
Author Keywords: Ebola Virus, docking, Oleuropein, Kaempferol, et Quercetin, ligand, inhibiteur.
How to Cite this Article
Yassine Kasmi, “In silico study of the inhibitory effects of Oleuropein, Kaempferol, and Quercetin on the VP30 protein from Ebola Virus,” International Journal of Innovation and Applied Studies, vol. 8, no. 4, pp. 1566–1573, October 2014.
