Drug binding to membranes

Phenothiazine molecules partition into a phospholipid membrane, illustrating a membrane-mediated component of drug action.

The simulation follows phenothiazine molecules interacting with and partitioning into a phospholipid membrane.

Phenothiazine molecules bind to and partition into a phospholipid membrane.

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Reference

Kopec W, Khandelia H. Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations. Journal of Computer-Aided Molecular Design. 2014;28(2):123–134. DOI: 10.1007/s10822-014-9737-z