Investigation molecular dynamic simulation of hydrogen bonds of SDS entrapped ADII.

سال انتشار: 1395
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 577

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شناسه ملی سند علمی:

TCPCO03_011

تاریخ نمایه سازی: 16 شهریور 1395

چکیده مقاله:

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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نویسندگان

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.