COMPUTATIONAL INVESTIGATION OF METHYL α-D-GLUCOPYRANOSIDE DERIVATIVES AS INHIBITOR AGAINST BACTERIA, FUNGI AND COVID-19 (SARS-2)
ABSTRACT For employing computational tools for drug discovery in the area of medicinal chemistry by carbohydrates, methyl α-D-glucopyranoside and its ten acylated derivatives have picked up. At first, the HOMO, LUMO, and its energy gap have been obtained by the DFT method, as well as the ch...
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| Main Authors: | , |
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| Language: | English |
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Sociedad Chilena de Química
2021
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| Subjects: | |
| Online Access: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000205206 |
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