Articles with "docking gbsa" as a keyword



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Naringin dihydrochalcone potentially binds to catalytic domain of matrix metalloproteinase-2: molecular docking, MM-GBSA, and molecular dynamics simulation approach

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Published in 2022 at "Natural Product Research"

DOI: 10.1080/14786419.2022.2118746

Abstract: Abstract Matrix metalloproteinase-2 (MMP2), an extracellular matrix remodulating protein’s increased activity causes cancer-metastasis. Potential MMP2 inhibitors showed sever side-effects in clinical trials. Present study is focused on identification natural MMP2 inhibitor by applying molecular docking,… read more here.

Keywords: molecular docking; mmp2; catalytic domain; docking gbsa ... See more keywords