Modeling polymer-drug interactions in biodegradable Tyrosine-derived nanospheres using Molecular dynamics simulations and docking studies

Technical Proceedings of the 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009

Volumn 2, Issue , 2009, Pages 76-78

  Costache, Aurora D ^a   Sheihet, Larisa ^a   Zaveri, Krishna ^a   Knight, Doyle D ^b   Kohn, Joachim ^a  

^a RUTGERS UNIVERSITY   (United States)

^b RUTGERS UNIVERSITY   (United States)

Author keywords

Docking; Drug delivery; Molecular Dynamic simulations (MD)

Indexed keywords

BINDING AFFINITIES; BIOLOGICAL CHARACTERIZATION; COMPUTATIONAL MODEL; EXPERIMENTAL VALUES; HIGH COSTS; LIPOPHILIC DRUGS; LOW MOLECULAR WEIGHT; MOLECULAR DYNAMIC SIMULATIONS (MD); MOLECULAR DYNAMICS SIMULATIONS; POLY-ARYLATES; POLYMER LIBRARIES; RELATIVE BINDING AFFINITY; SELECTION PROCESS;

AMINO ACIDS; BINDING ENERGY; BIODEGRADABLE POLYMERS; BLOCK COPOLYMERS; COMPUTER SIMULATION; CONTROLLED DRUG DELIVERY; DOCKING; ETHYLENE; ETHYLENE GLYCOL; MOLECULAR DYNAMICS; NANOSPHERES; NANOTECHNOLOGY; POLYETHYLENE GLYCOLS; POLYETHYLENE OXIDES;

DRUG INTERACTIONS;

EID: 77958029598     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: None     Document Type: Conference Paper

References (4)

1. Sheihet, L, Piotrowska, K., Dubin, R., Kohn, J., and Devore, D., "Effect of tyrosine-derived triblock copolymer compositions on nanoshere self-assembly and drug delivery", Biomacromolecules 8:998-1003, 2007.
2. Watanabe, M, Kawano, K., Yokoyama, M, Opanasopit, P., Okano, T and Maitani, T., "Preparation of camptothecin-loaded polymeric micelles and evaluation of their incorporation and circulation stability", International Journal of Pharmaceutics 308:183-189, 2006.
3. http://www.chemcomp.com.
4. http://autodock.scripps.edu/wiki/AutoDock4.