Fig. 10 | Scientific Reports

Fig. 10

From: In vivo and computational investigation of butin against alloxan-induced diabetes via biochemical, histopathological, and molecular interactions

Fig. 10Fig. 10Fig. 10Fig. 10Fig. 10

Plots of triplicate run displaying RMSD for Cα-backbone of (A(i)) 4IBM_Apo, (B(i)) 4IBM bound with Butin, (A(ii)) 1NME_apo, (B(ii)) 1NME bound with Butin, (A(iii)) 1SVC_Apo, (B(iii)) 1SVC bound with Butin, superimposed two best clusters (C(i)) 4IBM_apo, (C(ii)) 1NME_apo, (C(iii)) 1SVC_apo displaying the residues of the positions for which RMS deviation occur. Superimposed best RMSD cluster of Apo and Butin bound to (D(i)) 4IBM, (D(ii)) 1NME (displaying the loop arrangement during simulation), (D(iii)) orientation of binding cavity of best apo cluster and Butin bound cluster of 1SVC. RMSF plots of Cα-backbone of triplicate run for (E(i)) 4IBM_apo, (F(i)) 4IBM bound to butin, (E(ii)) 1NME_apo, (F(ii)) 1NME bound with butin, (E(iii)) 1SVC apo and (F(iii)) 1SVC bound to butin. Radius of gyration plots of Cα-backbone of triplicate run for (G(i)) 4IBM_apo, (H(i)) 4IBM bound to butin, (G(ii)) 1NME_apo, (H(ii)) 1NME bound with butin, (G(iii)) 1SVC apo and (H(iii)) 1SVC bound to butin. Average hydrogen bonds from triplicate simulation run for (I(i)) 4IBM, (I(ii)) 1NME and (I(iii)) 1SVC.

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