통합자연과학논문집 (Journal of Integrative Natural Science)

조선대학교 기초과학연구원 (The Basic Science Institute Chosun University)
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Drug Designing for Biologically Important Organic Compound against COX-2 Enzyme: A Computational Approach

  • Sharmila, P. (Department of Physics, Presidency College) ;
  • Malathy, P. (CAS in Crystallography and Biophysics, University of Madras) ;
  • Jagadeesan, G. (Department of Physics, Presidency College) ;
  • Gunasekaran, K. (CAS in Crystallography and Biophysics, University of Madras) ;
  • Aravindhan, S. (Department of Physics, Presidency College)
  • 투고 : 2015.07.20
  • 심사 : 2015.09.25
  • 발행 : 2015.09.30
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초록

Pyrazole, ${\beta}$-lactam, salicidine, pyren and oxazole derivatives exhibit a broad spectrum of biological activities such as antimicrobial, anti-inflammatory and antitumor activities. With growing application on their synthesis and bioactivity, chemists and biologists in recent years have considerable attention on the research of these derivatives. In the view of potential importance of these derivatives, we have crystallized few of the derivatives and its report has been published. The present study focuses on docking studies of these derivatives against COX-2 enzyme. Docking studies using Schrodinger's GLIDE reveals that these derivatives shows better binding energy and score in the defined active site. These results may provide a guiding role to design a lead molecule which may reduce inflamation.

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참고문헌

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