Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues.
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PLoS One. 2019 Jun 4;14(6):e0217270. doi: 10.1371/journal.pone.0217270. eCollection 2019.
PLoS One. 2019.
PMID: 31163040
Free PMC article.
MD simulation showed that 5j possessed the highest binding affinity toward the enzyme, according to the two calculation methods (MM/PBSA and MM/GBSA). The single-crystal X-ray studies of compounds 5c and 5d revealed that the molecular arrangements in these two structures w …
MD simulation showed that 5j possessed the highest binding affinity toward the enzyme, according to the two calculation methods (MM/PBSA and …