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논문명(한글) |
Molecular docking of monkeypox (mpox) virus proteinase with FDAapproved lead molecules |
논문명(영문) |
Molecular docking of monkeypox (mpox) virus proteinase with FDAapproved lead molecules |
성과주관부서 |
국립축산과학원 축산자원개발부 초지사료과 |
품목코드 |
|
학술지명 |
Journal of Infection and Public Health |
주저자 |
M.Valan Arasu |
성과년도 |
|
성과적용일 |
2023년06월 |
The confidence level of the submitted amino acids was > 80 % and the maximum confidence score
for a single template was 98.2 %. The generated proteinase model was subjected to analyze the distribution
of atoms and the using ERRAT server. The overall quality score was 88.535 and this value represents the
amino acid percentage with anticipated error value and the value falling below the rejection limit. The Zscore
of this study result was within the Z-score range (−4.17) validated for native enzymes. The binding
pockets of the enzyme were determined in this study and two binding pockets were predicted using the
automatic online tool using the web server. The selected FDA-approved drugs were ordered based on their
minimum binding energy to the proteinase.