Table 2 The hydrogen bonds, hydrophobic residues and salt bridges of the docked complexes obtained from dimplot results of LigPlot + analysis
Target receptor | H-bonds | Hydrophobic residues | Salt bridges | ||||
|---|---|---|---|---|---|---|---|
Receptor residues | Bromelain residues | Distance (Ã…) | Receptor residues | Bromelain residues | Receptor residues | Bromelain residues | |
EGFR | Glu928 Asp954 Asp954 His888 Ala955 Asp956 Ser925 Ser921 Arg889 Arg889 Lys867 | Arg112 Gly60 Arg70 Asn157 Tyr61 Lys64 Arg115 Arg115 Ser155 Asp135 Asn137 | 2.87 2.98 2.70, 2.86 2.94 2.88 2.51, 2.53 2.90 2.74, 3.03 2.71, 3.23 2.75 2.93 | Leu883 Glu884 Leu887 Ile890 Ile953 | Lys59 Gly66 Trp67 Phe69 Leu156 Asp204 | Glu928 Glu922 | Arg112 Arg115 |
mTOR | Trp2101 Phe2039 Glu2032 Glu2032 Tyr2074 His2106 His2106 Tyr2105 Tyr2105 Arg2109 Arg2109 Arg2109 Arg2110 | Tyr61 Lys64 Lys59 Arg70 Arg115 Thr154 Leu156 Trp67 Glu68 Glu68 Arg112 Asp204 Ile203 | 3.21 2.64 2.74 2.77, 2.73 2.77 3.07 3.21 3.00 3.09 2.72 2.67 2.79 2.95 | Ser2035 Asp2102 Phe2108 Ser2112 | Gly66 Phe69 Ala133 Asn157 Leu206 | Arg2109 Arg2110 | Glu68 Asp204 |
BCL2 | Thr129 Glu132 Arg124 Asn169 Asn169 Pro165 Glu162 | Arg115 Arg115 Tyr110 Arg70 Tyr61 Tyr61 Lys64 | 3.09 2.66 2.80 2.76, 2.77 2.81 2.67 2.60 | Pro120 Phe121 Thr122 Ala123 Gly125 Ala128 Leu166 Leu172 Trp173 | Gly24 Cys26 Trp27 Gly65 Gly66 Trp67 Phe69 Ser155 Leu156 Asn157 Ile203 Asp204 | Glu162 | Lys64 |
PIK3CA | His510 Ser507 Arg557 Trp328 Asn331 Asn331 Asn331 Glu494 Lys325 Lys325 Ser482 Trp479 Arg335 Ser481 Asp390 Asp395 Asp578 Arg502 Arg502 Arg502 | Thr98 Asp99 Tyr61 Trp67 Glu68 Asp204 Arg112 Lys64 Leu156 Ser155 Ser155 Arg115 Arg115 Thr154 Tyr110 Arg70 Arg70 Leu55 Asp56 Ala58 | 2.80 2.91 2.67 2.71 2.95 2.86 2.61, 2.79 2.51 2.48 2.76, 2.52 2.96 2.72, 2.78 2.67 2.78 2.87 2.72 2.68 3.27 2.71, 2.84 2.61, 2.71 | Ser332 Tyr392 Phe480 His495 Trp498 Ser509 Leu513 | Cys57 Lys59 Gly60 Gly62 Phe69 Ser77 Lys79 Lys93 Cys96 Leu206 | Asp478 Asp395 | Arg115 Arg70 |
β-catenin | Lys233 His224 Arg185 Glu226 Asn261 Leu264 His265 Glu267 Arg225 Arg225 His186 Arg190 Arg190 | Asn116 Tyr61 Tyr61 Arg115 Arg70 Tyr110 Arg112 Arg112 Glu68 Asp204 Leu156 Leu156 Ser155 | 2.58 2.94 2.61 2.69 2.60 2.84 2.92 3.10 2.72 2.82 3.25 2.71 2.66, 2.78 | His223 Leu228 Leu229 | Trp67 Phe69 Ala111 Ala133 Ala159 Ile203 | Glu182 Arg225 | Lys64 Glu68 |