Browsing Faculty of Natural Sciences by Subject "Hirshfeld surface analysis"
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Crystal structure, Hirshfeld surface analysis and DFT studies of 5-(adamantan-1-yl)-3-[(4- chlorobenzyl)sulfanyl]-4-methyl4H-1,2,4-triazole, a potential 11βHSD1 inhibitor
(Scientific Reports, 2019)5-(Adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole (4) was identifed as a potential 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor and this paper describes the in-depth structural ... -
Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11 -HSD1 Inhibitors
(Molecules, 2021)The solid-state structural analysis and docking studies of three adamantane-linked 1,2,4- triazole derivatives are presented. Crystal structure analyses revealed that compound 2 crystallizes in the triclinic P-1 space ...