Bibliographic Details
| Title: |
Fast computational chemistry methods applied to new anti-Ebola virus entry drugs - application for new therapeutic targets. |
| Authors: |
Udrea, Ana-Maria1, Puia, Alin1 alin2391@gmail.com, Mernea, Maria1, Alexandrescu, Iulia1, Avram, Speranta1 |
| Source: |
New Frontiers in Chemistry. 2017, Vol. 26 Issue 1, p1-10. 10p. 1 Diagram, 4 Charts, 1 Graph. |
| Subject Terms: |
*EBOLA virus disease, *SEROTONIN uptake inhibitors, *COMPUTATIONAL chemistry, *ANTIVIRAL agents, *QSAR models |
| Abstract: |
Ebola virus is responsible for severe symptoms and has fatality rates up to 90%. Some approved drugs among antipsychotics and Selective Serotonin Reuptake Inhibitors (SSRI) antidepressants appear to be efficient inhibitors, with fewer secondary effects. There is an immense pressure to use fast research methods to discover new antivirus-drugs or, detect new antivirus applications of clinically used drugs. We have generated quantitative structure-activity relationship (QSAR) models on drugs used to treat genetic disorders, with various inhibitor concentrations (IC50) on Ebola virus. We evaluated the predicted affinity at Ebola virus glycoproteins of other efficient SSRI antidepressants, antipsychotics and anticancer drugs. [ABSTRACT FROM AUTHOR] |
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| Database: |
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