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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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
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