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Within groups of chemically related substances it is possible to correlate changes in biological activity with variations in chemical structure respectively in structural elements, or variations in chemical and physical properties.
The chemical biology of the microbial cell is extremely complex, however. The chemist stands opposite large molecular systems and tries to solve the problem by assuming that only a small bounded part of a system has structure which interacts with structural (toxophoric) elements of microbicides. The resort to such abstraction allows to predict antimicrobial effectiveness of substances bearing toxophoric groups able for instance to react with amino, amido, thiol groups, as these are part of large molecular systems such as proteins and nucleic acids. Corresponding examples are aldehydes or aldehyde releasing compounds, or substances containing an activated N-S bond, on condition that the active ingredients dispose of an adequate molecular size, lipid and water solubility and a minimum of stability under physiological conditions.

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