Pharmacophores of the dual acting α, β-blockers as deduced, from molecular dynamics simulations.
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Date
1996-09
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Abstract
The dual acting α, β-blockers have an important place in the management of
hypertension. Molecular dynamics simulations have been carried out on all stereoisomers of
seven dual acting α,β-blockers namely adimolol, amosulalol, bucindolol, carvedilol, labetalol,
medroxalol and primidolol. Three families of conformations have been identified for the group of
compounds. The pharmacophores for α and β-activity have been constructed for two of these families.
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Keywords
α, β-blockers, pharmacophores, conformation, molecular dynamics
Citation
Kamath Shantaram, Coutinho Evans. Pharmacophores of the dual acting α, β-blockers as deduced, from molecular dynamics simulations. Journal of Biosciences. 1996 Sept; 21(5): 599-611.