ISLAM, S;
NEIDLE, S;
(1983)
NUCLEIC-ACID BINDING-DRUGS .7. MOLECULAR-MECHANICS STUDIES ON THE CONFORMATIONAL PROPERTIES OF THE ANTI-CANCER DRUG DAUNOMYCIN - SOME OBSERVATIONS ON THE USE OF DIFFERING POTENTIAL-ENERGY FUNCTIONS.
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE
, 39
(Part 1)
114 - 119.
10.1107/S0108768183002098.
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Abstract
The conformation of the anti-cancer drug daunomycin has been investigated in detail by potential-energy calculations. The flexibility around the ether linkage, connecting the anthracycline chromophore and the amino sugar group, has been evaluated using several types of potential-energy function. The results largely support the hypothesis that the crystallographically observed conformation is the most stable one, although considerable detailed variation with respect to potential function was found.
| Type: | Article |
|---|---|
| Title: | NUCLEIC-ACID BINDING-DRUGS .7. MOLECULAR-MECHANICS STUDIES ON THE CONFORMATIONAL PROPERTIES OF THE ANTI-CANCER DRUG DAUNOMYCIN - SOME OBSERVATIONS ON THE USE OF DIFFERING POTENTIAL-ENERGY FUNCTIONS |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1107/S0108768183002098 |
| Publisher version: | http://scripts.iucr.org/cgi-bin/paper?S01087681830... |
| Language: | English |
| Additional information: | Copyright © International Union of Crystallography |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences UCL > Provost and Vice Provost Offices > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1367875 |
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