Literature summary for 2.7.1.227 extracted from

Mandlik, V.; Singh, S.
Molecular docking and molecular dynamics simulation study of inositol phosphorylceramide synthase - inhibitor complex in leishmaniasis Insight into the structure based drug design (2016), F1000Res., 5, 1610 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
3-(1,3-benzodioxol-5-yl)-6-[[(1E)-1H-pyrrol-2-ylmethylene]amino]-2H-chromene-2-one	coumarin derivative. Molecular dynamics modeling, free energy of binding is -9.5 kcal/mol	Leishmania major
3-(2H-1,3-benzodioxol-5-yl)-6-[(E)-[(furan-2-yl)methylidene]amino]-2H-1-benzopyran-2-one	coumarin derivative with little cytotoxic effects.Molecular dynamics modeling, free energy of binding is -9.8 kcal/mol	Leishmania major

Organism

Organism	UniProt	Comment	Textmining
Leishmania major	-	-	-

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Release 2023.1 (January 2023)