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Interaction energy studies of pyrrolopyrimidine nucleoside antibiotics-toyocamycin

✍ Scribed by Nitish K. Sanyal; Rajendra Prasad Ojha; M. Roychoudhury

Publisher: John Wiley and Sons
Year: 1986
Tongue: English
Weight: 424 KB
Volume: 7
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540070103

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✦ Synopsis

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.

H Total Dipole Moments Component

Total Dipole Moment = 2.0298 Debyes

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