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- W1008470835 abstract "The aim of this chapter is to provide some guidelines and strategies rendering easier and more efficacious the decision on which compounds to prepare and which ones to reject. Depending on the lead structure's size and on its degree of complexity, the strategy may involve a simplification (disjunctive approach), conservation of the same level of complexity (analogical approach), or enlargement through additional elements (conjunctive approach). Examples of drugs resulting from associative synthesis (nonsymmetrical twin drugs) and of duplication of the parent drug (symmetrical twin drugs) are summarized. Conservation of the lead compound's degree of complexity proceeds usually through isosteric exchanges or functional inversions and can be considered the analogical approach. The strategy of hit optimization heavily depends on the amount of information available at the start of the study. If some knowledge of the 3D structure of the target is available, the synthesis program can take the corresponding information immediately into account. This will also be the case if some earlier structure–activity relationship (SAR) studies are available. A structural guide is also available for drugs designed to bind to the neurotransmitters of the central nervous system (CNS)." @default.
- W1008470835 created "2016-06-24" @default.
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- W1008470835 date "2008-01-01" @default.
- W1008470835 modified "2023-09-26" @default.
- W1008470835 title "Application Strategies for the Primary Structure–Activity Relationship Exploration" @default.
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- W1008470835 doi "https://doi.org/10.1016/b978-0-12-374194-3.00019-6" @default.
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