Virtual design of chemical penetration enhancers for transdermal drug delivery.
作者： Sharath Golla , Brian J. Neely , Eric Whitebay , Sundar Madihally , Robert L. Robinson
DOI: 10.1111/J.1747-0285.2011.01293.X
关键词:
摘要: Traditional drug design is a laborious and expensive process that often challenges the pharmaceutical industries. As result, researchers have turned to computational methods for computer-assisted molecular design. Recently, genetic evolutionary algorithms emerged as efficient in solving combinatorial problems associated with computer-aided Further, combining (GAs) quantitative structure-property relationship (QSPR) analyses has proved effective In this work, we integrated new algorithm non-linear QSPR models develop reliable virtual screening generation of potential chemical penetration enhancers (CPEs). The GA-QSPR been implemented successfully identify CPEs transdermal delivery insulin. Validation newly-identified CPE structures was conducted through carefully designed experiments, which elucidated cytotoxicity permeability CPEs.
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