Simulation of Clonazepam and Diazepam in DPPC membrane: Investigation of the movement
کد مقاله : 1288-PHYSCHEM20
نویسندگان:
خالد عزیزی *، مختار گنجعلی کلی
چکیده مقاله:
Mobility of DPPC molecules in the presence of two kinds of benzodiazepines (BZDs) (Diazepam; Clonazepam) within model membranes was investigated by molecular dynamics simulation. Observations can be explained by more free space in the Clonazepam containing system that leads to more movement of DPPC molecules in this system. Mobility of Diazepam in DPPC membrane is more than Clonazepam. It seems the presences of bulky atoms like Oxygen and Nitrogen in the structure of Clonazepam caused less movement of this molecule. More ability of Clonazepam molecules in establishing the hydrogen bond is another reason for slower movement of this molecule in DPPC membrane.
کلیدواژه ها:
Benzodiazepines, Molecular dynamics simulation, Mean Square Displacement, Membrane
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