Computational estimation of potential inhibitors from known drugs against the main protease of SARS-CoV-2
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DOI: 10.1039/d1ra02529e
Abstract: The coronavirus disease (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has rapidly spread worldwide recently, leading to global social and economic disruption. Although the emergently approved vaccine programs against SARS-CoV-2 have… read more here.
Keywords: estimation potential; sars cov; potential inhibitors; computational estimation ... See more keywords
Computational Estimation of the Acidities of Pyrimidines and Related Compounds
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DOI: 10.3390/molecules27020385
Abstract: Pyrimidines are key components in the genetic code of living organisms and the pyrimidine scaffold is also found in many bioactive and medicinal compounds. The acidities of these compounds, as represented by their pKas, are… read more here.
Keywords: related compounds; acidities pyrimidines; estimation acidities; pyrimidines related ... See more keywords