Molecular orbital studies on nucleoside antibiotics. IV. conformation of 3'-deoxyadenosine (cordycepin) and 3'-amino-3'-deoxyadenosine
✍ Scribed by Anil Saran; Lalit N. Patnaik
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 479 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
PCILO computations have been carried out on the conformation of 3'‐deoxyadenosine (cordycepin) and 3'‐amino‐3'‐deoxyadenosine. These nucleoside antibiotics results as a consequence of modification in the sugar part of adenosine. Both C(2')‐endo and C(3')‐endo sugar puckerings have been considered in the computations and the results obtained indicate that these nucleoside antibiotics have very similar conformational preferences as compared to those of the parent nucleoside adenosine. This similarity which is quite marked in aqueous solution has important biological significance.
📜 SIMILAR VOLUMES
The intramolecular hydrogen bonding in 3-amino 2-iminomethyl acryl aldehyde (AIA) has been studied by ab initio and DFT calculations. All possible conformers of the two tautomeric structures of the respective compound were fully optimized at HF, MP2 and B3LYP levels with 6-311++G ⁄⁄ basis set. From