Applications of quantitative structure-activity relationships to drug design of piperazine derivatives

Add time:08/09/2019    Source:sciencedirect.com

Applications of quantitative structure-activity relationship (QSAR) procedures to our own practical drug research are reviewed. A benzylpiperazine cerebral vasodilator (KB-2796) and a piperazine-acetate antiulcer agent (KB-5492) were successfully optimized by use of QSAR information. In these cases, appropriate strategies of the synthetic research were devised and QSAR analyses were performed repeatedly in each step during the research. In the last example, the selection of a 2-homopiperazinylbenzimidazole (KG-2413) as a candidate for antihistaminics was confirmed to be valid by QSAR analysis after the synthetic research project was over. The antiulcer and cerebral vasodilative agents are now under extensive clinical trials, while the antihistaminic agent has been used clinically.

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