Investigation molecular dynamic simulation of hydrogen bonds of SDS entrapped ADII.
Publish place: The third national conference on new technologies in the chemical, petrochemical and Iran Nanotechnology
Publish Year: 1395
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
TCPCO03_011
تاریخ نمایه سازی: 16 شهریور 1395
Abstract:
In this article, one pharmacologic molecule named ADII is captured by with a direct micelle named SDS by molecular dynamic simulation. ADII a kind of isoindole fused imidazole derivative named, 1-(2-hydroxy-5-methyl-phenyl)-3,5-dioxo-1H-imidazo-[3,4-b] isoindole and SDS is a direct micelle with 60 sodium dodecyl sulfate surfactants. There are 4 sites for hydrogen bonds formation with SDS's oxygens. Average distances between hydrogens can form hydrogen bonds in ADII and SDS's oxygens is the other studied
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Authors
seifollah Jalili
Department of Chemistry, K.N. Toosi University of Technology, Tehran, Iran.
Havva Hashemi
Department of Chemistry, K.N. Toosi University of Technology, Tehran, Iran.