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Interaction energy studies of pyrrolopyrimidine nucleoside antibiotics‐toyocamycin
Author(s) -
Sanyal Nitish K.,
Ojha Rajendra Prasad,
Roychoudhury M.
Publication year - 1986
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540070103
Subject(s) - nucleic acid , nucleoside , chemistry , base pair , computational biology , stereochemistry , biology , biochemistry , dna
The biological activity of toyocamycin has been examined on the basis of the model developed by Sanyal et al. for the incorporation of nucleoside analogs during transcription. Using the simplified formula of Claverie for intermolecular interactions, computations have been carried out on the pairing energy of toyocamycin base with the complimentary bases as well as on the interaction energy with nucleic acid base pairs. The results are compared with the results of similar computations with nucleic acids. On the basis of the model an attempt has been made to explain the mechanism of the biological action of toyocamycin.