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Table 3 The table depicts the binding affinity and residue interactions of the compounds of interest with the target

From: Integrative in-silico and in-vitro analysis of taurine and vitamin B12 in modulating PPARγ and Wnt signaling in hyperhomocysteinemia-induced osteoporosis

Name

Binding affinity (kcal/mol)

Hydrogen bond interactions

Hydrophobic interactions

Salt bridges interactions

Bound loops

H

−4

**

231S, 235 V, 264 V, 265H, 268I, 269Y, 411L, 414I, 415Y

391H

H3, H4-H5, H11 and H12

T

−4.1

225Q, 228Q, 405 M

224F, 302F, 305F, 395L, 398I, 407L

**

H3, H11 and H12

  1. The interacting residues have also been listed in the tables along with the PPARγ loops involved. The absence of particular interactions is represented by ‘**’
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Biology Direct

ISSN: 1745-6150

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