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Computer Simulation Studies of Drug-DNA Interactions: Neothramycin B

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Contemporary Computing (IC3 2010)

Part of the book series: Communications in Computer and Information Science ((CCIS,volume 94))

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Abstract

Neothramycin B is a potential antibiotic drug. It is reported to bind to DNA and thereby inhibits the functions of DNA. In view of this fact, stacking interactions between neothramycin B and DNA base pairs have been evaluated using quantum mechanical methods. Binding patterns, relative stability of various drug-base pair complexes and preferred binding sites of the drug have been presented. An attempt has been made to elucidate the pharmacological properties of the drug.

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References

  1. Saenger, W.: Principles of Nucleic Acid Structure. Springer, New York (1984)

    Google Scholar 

  2. Maiti, M.: Perspectives in Structural Biology, p. 583. Universities Press, India (1999)

    Google Scholar 

  3. Haq, I., Ladbury, J.: J. Mol. Recognit. 13, 188 (2000)

    Google Scholar 

  4. Kumar, R., Lown, J.W.: Org. Biolmol. Chem. 1, 3327 (2003)

    Google Scholar 

  5. Horwitz, S.B.: Progress in Molecular & Subcellular Biology, vol. 2, p. 39. Springer, New York (1971)

    Google Scholar 

  6. Sanyal, N.K., Roychoudhury, M., Tiwari, S.N., Ruhela, K.R.: Indian J. Biochem. Biophys. 27(213), 27(222) (1990)

    Google Scholar 

  7. Tiwari, S.N., Ruhela, K.R., Roychoudhury, M., Sanyal, N.K.: Indian J. Phys. 65B, 495 (1991)

    Google Scholar 

  8. Sanyal, N.K., Tiwari, S.N.: J. Biosci. 24(S-1), 91 (1999)

    Google Scholar 

  9. Tiwari, S.N., Sanyal, N.K.: J. Biosci. 24(S-1), 92 (1999)

    Google Scholar 

  10. Shukla, R., Mishra, M., Tiwari, S.N.: Progress in Crystal Growth and Characterization of Materials, USA 52, 107–112 (2006)

    Google Scholar 

  11. Shukla, R., Tiwari, S.N.: International Conference on Contemporary Computing. LNCS, vol. 40, pp. 454–460. Springer, Berlin (2009)

    Google Scholar 

  12. Claverie, P.: Intermolecular Interactions: From Diatomics to Biopolymers, p. 69. John Wiely, New York (1978)

    Google Scholar 

  13. Rein, R.: Intermolecular Interactions: From Diatomics to Biopolymers, p. 307. John Wiely, New York (1978)

    Google Scholar 

  14. Arora, S.K.: Acta Cryst B35, 2945 (1979)

    Google Scholar 

  15. Pople, J.A., Beveridge, D.L.: Approximate Molecular Orbital Theory. Mc-Graw Hill Pub. Co., New York (1970)

    Google Scholar 

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Author information

Authors and Affiliations

  1. Department of Physics, D.D.U. Gorakhpur University, Gorakhpur, 274 009, India

    Rajeshwer Shukla & Sugriva Nath Tiwari

Authors
  1. Rajeshwer Shukla
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  2. Sugriva Nath Tiwari
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Editor information

Editors and Affiliations

  1. Dept. of Computer Sciences, University of Florida, 32611, Gainesville, FL, USA

    Sanjay Ranka

  2. University of Florida, Gainesville, Fl, USA

    Arunava Banerjee

  3. Department of Computer Science and Engineering, Indian Institute of Technology, 110016, New Delhi, INDIA

    Kanad Kishore Biswas

  4. Computer Science, College of Engineering and Science, Louisiana Tech University, LA 71272, Ruston, USA

    Sumeet Dua

  5. University of Florida, Gainesville, FL, USA

    Prabhat Mishra

  6. Department of Computer Science & Engineering, Indian Institute of Technology, 208016, Kanpur, India

    Rajat Moona

  7. National Tsing Hua University, Hsin-Chu, Taiwan, R.O.C.

    Sheung-Hung Poon

  8. Department of Computer Science, The University of Hong Kong, Pokfulam Road, Hong Kong

    Cho-Li Wang

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© 2010 Springer-Verlag Berlin Heidelberg

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Shukla, R., Tiwari, S.N. (2010). Computer Simulation Studies of Drug-DNA Interactions: Neothramycin B. In: Ranka, S., et al. Contemporary Computing. IC3 2010. Communications in Computer and Information Science, vol 94. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-14834-7_26

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  • DOI: https://doi.org/10.1007/978-3-642-14834-7_26

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-14833-0

  • Online ISBN: 978-3-642-14834-7

  • eBook Packages: Computer ScienceComputer Science (R0)

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