Interaction of tetrahydrostilbazoles with monoamine oxidase A and B

…, MJ Krueger, TP Singer, SO Bachurin…

Index: Sablin; Krueger; Singer; Bachurin; Khare; Efange; Tkachenko Journal of Medicinal Chemistry, 1994 , vol. 37, # 1 p. 151 - 157

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Citation Number: 13

Abstract

Results Molecular Mechanics Calculations. Molecular mechanics calculations carried out with PCModel (Serena software) show that the most stable structure for trans-MTHS is one in which the benzene ring and the two double bonds are coplanar. Similar results were reported earlie~~ a In cis-MTHS, the barrier to rotation about CS-Cl'is about 1 kcal/mol. Hence rotation about this bond is relatively unhindered. However, substitution at the ortho ...