Molecular modelling of membrane activity of amphotericin B, a polyene macrolide antifungal antibiotic.
Amphotericin B (AmB) is a well known polyene macrolide antibiotic used to treat systemic fungal infections. Despite its toxicity AmB is still regarded as a life-saving drug. The lack of adequate knowledge of the AmB mechanism of action is a serious obstacle to efficient development of new less toxic derivatives. Complementary to various experimental approaches, computational chemistry methods were used to study AmB mechanism of action. A programme lasting for a decade, that was run by our group covered studies of: i) molecular properties of AmB and its membrane targets, ii) structure and properties of AmB membrane channels, and iii) interaction of AmB with the membrane.
Baginski
Maciej
M
Department of Pharmaceutical Technology and Biochemistry, Faculty of Chemistry, Gdańsk University of Technology, Gdańsk, Poland. maciekb@hypnos.chem.pg.gda.pl
Sternal
Kamil
K
Czub
Jacek
J
Borowski
Edward
E
D000465:Algorithms; D000666:Amphotericin B / Q000737:chemistry / Q000494:pharmacology*; D000935:Antifungal Agents / Q000737:chemistry / Q000494:pharmacology*; D001692:Biological Transport; D002462:Cell Membrane / Q000737:chemistry / Q000378:metabolism*; D002463:Cell Membrane Permeability; D008958:Models, Molecular; D011090:Polyenes / Q000737:chemistry* / Q000378:metabolism
D000935:Antifungal Agents; D011090:Polyenes; D000666:Amphotericin B