In silico screening of drug candidates for thermoresponsive liposome formulations

Martin Balouch,Martin Šrejber,Marek Šoltys,Petra Janská,František Štěpánek,Karel Berka

Molecular Systems Design & Engineering（2021）

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摘要

In silico methodology for compound suitability for liposomal formulation has been developed. Water–lipid partitioning and permeation of candidate compounds from the DrugBank were calculated, and the most appropriate targets validated experimentally.

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