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Software can be used to design compounds with favourable properties, but toxicology is difficult to predict computationally.
Chemists can then design compounds that interact with these targets to avert disease (medicinal chemistry).
In many graduate programs, pharmacologists work together with medicinal chemists to design compounds that will interact with target sites.
They present original structural feature that can be modified to design compounds and improve their specificity.
This approach also illustrates an opportunity to try to identify or design compounds targeting multiple Mtb targets by using features shared by several targets.
In novel drug design, compounds are usually engineered to bind to a specific target, with the assumption that one drug binds to one target to treat one condition.
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Rounds of analogue design, compound synthesis, testing, and analysis of structure activity and structure property relationships led to substantially improved inhibitors, as discussed in section 5.2.
He quickly designed compounds based on the genetic sequence.
The designed compounds were synthesized and evaluated.
The structure elucidation of the designed compounds was derived from their spectral information.
Fig. 1 a YH345, b Indisulam, c general structure for the designed compounds.
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