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Table 2 Interaction profile of LPKC with natural compounds

From: Blocking Protein kinase C signaling pathway: mechanistic insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera

Type of Interaction Withaferin A (before MD) Withaferin A (after MD) Withanone (before MD) Withanone (after MD)
H-bonds Thr62, Ala63, Glu79, Asn128 Ala63 Ala63, Glu79 Glu79
Hydrophobic Arg17, Leu53, Leu64, Met78, Ala81, Thr131, Cys139 Leu54, Thr62, Met78, Glu79, Ala81, Gln85, Thr131, Ala133, Cys139, Asp140 Arg17, Gln19, Glu39, Leu53, Thr62, Leu64, Met78, Ala81, Gln19, Thr62, Met78, Ala81