Intermolecular interactions around functional groups in crystals: data for modeling the binding of drugs to biological macromolecules
When a small biologically active molecule enters the body it has the possibility of interacting with one or many of the large variety of macromolecules that are present. This interaction involves a unique complementary fit between the two that depends not only on the shape, but also on the distribut...
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| Published in | Acta crystallographica. Section D, Biological crystallography. Vol. 51; no. 4; pp. 418 - 427 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
5 Abbey Square, Chester, Cheshire CH1 2HU, England
International Union of Crystallography
01.07.1995
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| Online Access | Get full text |
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| Summary: | When a small biologically active molecule enters the body it has the possibility of interacting with one or many of the large variety of macromolecules that are present. This interaction involves a unique complementary fit between the two that depends not only on the shape, but also on the distribution of charges on the surfaces of both [Fischer (1894). Ber. Dtsch. Chem. Ges.27, 2984–993]. This recognition between two molecules may elicit a biological response and such processes are the subject of biochemical investigations. The question asked here is: what geometrical information on distances and relative orientations of interacting non‐bonded functional groups can be found from X‐ray crystallographic investigations? |
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| Bibliography: | ArticleID:AYDGR0520 istex:DD8AA9E4838CEED71FA34D466405EE8D2B8E2BFB ark:/67375/WNG-J2W7GCH6-L ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
| ISSN: | 1399-0047 0907-4449 1399-0047 |
| DOI: | 10.1107/S0907444995003313 |