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Modeling interactions between C60 antiviral compounds and HIV protease

Journal Article


Abstract


  • © 2015 Society for Mathematical Biology Fullerenes have generated a great deal of interest in recent years, due to their properties and potential applications in many fields, including medicine. In this paper, we study an antiviral fullerene compound which may be used to treat the human immunodeficiency virus (HIV). We formulate a mathematical model which can describe the interaction energy between the C(Formula presented.) antiviral compounds and the HIV. In particular, this paper predicts the energy and force arising from the interaction between HIV active region and the antiviral molecule which is attached to the external surface of a fullerene C(Formula presented.). These interactions are calculated based on the structure of the antiviral molecules. Our results show that the binding of fullerene C(Formula presented.) to the antiviral molecules increases the efficiency of the compound to prohibit the activity of HIV.

UOW Authors


  •   Al Garalleh, Hakim Abdul (external author)
  •   Thamwattana, Natalie
  •   Cox, Barry J. (external author)
  •   Hill, James (external author)

Publication Date


  • 2015

Citation


  • Al Garalleh, H., Thamwattana, N., Cox, B. J. & Hill, J. M. (2015). Modeling interactions between C60 antiviral compounds and HIV protease. Bulletin of Mathematical Biology, 77 184-201. Bulletin of Mathematical Biology

Scopus Eid


  • 2-s2.0-84925515732

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3596

Has Global Citation Frequency


Number Of Pages


  • 17

Start Page


  • 184

End Page


  • 201

Volume


  • 77

Place Of Publication


  • United States

Abstract


  • © 2015 Society for Mathematical Biology Fullerenes have generated a great deal of interest in recent years, due to their properties and potential applications in many fields, including medicine. In this paper, we study an antiviral fullerene compound which may be used to treat the human immunodeficiency virus (HIV). We formulate a mathematical model which can describe the interaction energy between the C(Formula presented.) antiviral compounds and the HIV. In particular, this paper predicts the energy and force arising from the interaction between HIV active region and the antiviral molecule which is attached to the external surface of a fullerene C(Formula presented.). These interactions are calculated based on the structure of the antiviral molecules. Our results show that the binding of fullerene C(Formula presented.) to the antiviral molecules increases the efficiency of the compound to prohibit the activity of HIV.

UOW Authors


  •   Al Garalleh, Hakim Abdul (external author)
  •   Thamwattana, Natalie
  •   Cox, Barry J. (external author)
  •   Hill, James (external author)

Publication Date


  • 2015

Citation


  • Al Garalleh, H., Thamwattana, N., Cox, B. J. & Hill, J. M. (2015). Modeling interactions between C60 antiviral compounds and HIV protease. Bulletin of Mathematical Biology, 77 184-201. Bulletin of Mathematical Biology

Scopus Eid


  • 2-s2.0-84925515732

Ro Metadata Url


  • http://ro.uow.edu.au/eispapers/3596

Has Global Citation Frequency


Number Of Pages


  • 17

Start Page


  • 184

End Page


  • 201

Volume


  • 77

Place Of Publication


  • United States