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Fig. 2 | Future Journal of Pharmaceutical Sciences

Fig. 2

From: GC–MS and ADME profile analysis of Carcinoscorpius rotundicauda bioactive compounds and their potential as COVID-19 antiviral

Fig. 2

a Interaction of potential and drug compound with ACE2. The red circle indicates the amino acid residues that are similar to the control. The red circle indicates amino acid residues that are similar to the control including Phe 390, Arg 393, Phe 40, Leu 73, and Leu 391. The interactions with the dotted line include hydrogen bonds (green) and hydrophobic bonds (pink). An interaction without a dotted line is a Van der Waals force interaction. b Interaction of potential and drug compound with RdRp. The red circle indicates the amino acid residues that are similar to the control. The red circle indicates amino acid residues that are similar to the control including Val 560 and Ala 512. The interactions with the dotted line include hydrogen bonds (green), electrostatic bond (orange), and hydrophobic bonds (pink). An interaction without a dotted line is a Van der Waals force interaction. c Interaction of potential and drug compound with 3CLpro. The red circle indicates the amino acid residues that are similar to the control. The red circle indicates amino acid residues that are similar to the control including Cys 145, Gly 143, Ser 144, Glu 166, and Leu 141. The interactions with the dotted line include hydrogen bonds (green) and hydrophobic bonds (pink). An interaction without a dotted line is a Van der Waals force interaction

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