Departmental Bulletin Paper Characters of Frontier Orbitals of Antiviral Drugs

水上, 善博

(64)  , pp.141 - 144 , 2015-03-31 , 滋賀大学教育学部
ISSN:2188-7691
NCID:AA12714371
Description
Ab initio molecular orbital calculations are performed for model molecules of antiviral drugs.Frontier orbitals (highest occupied molecular orbital and lowest unoccupied molecular orbital) atoptimized structure of each molecule are obtained. Similar shapes of frontier orbitals are found forthese three molecules. Efficacy for Ebola virus disease is discussed. We suggest Cytosine arabinoside(also known as Ara-C) (Cylocide®) may be promising as a drug against Ebola virus disease.
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http://libdspace.biwako.shiga-u.ac.jp/dspace/bitstream/10441/14154/1/2014-64%2813%29_Yoshihiro%20MIZUKAMI.pdf

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