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Investigating and Predicting how Biology Changes Molecules and Their Properties
Author(s) -
Tyzack Jonathan D.,
Glen Robert C.
Publication year - 2014
Publication title -
molecular informatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.481
H-Index - 68
eISSN - 1868-1751
pISSN - 1868-1743
DOI - 10.1002/minf.201400031
Subject(s) - computational biology , quantitative structure–activity relationship , biochemical engineering , biology , computer science , chemistry , bioinformatics , engineering
Most molecules are transformed and transported by specific metabolising enzymes and transporters resulting in changes in their bioactivities, pharmacokinetics and toxicity profiles. This is a key consideration in the design of drugs. Ideally, when medicines have performed their task, they need to fade away gracefully, and not introduce unexpected or untoward biological effects. Some examples of predictive metabolism, transport and interesting design considerations of drugs are described.