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International Journal of Mosquito Research
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International Journal of Mosquito Research
Vol. 1, Issue 4, Part A (2014)

UDP-N-Acetyl glucosamine pyrophosphorylase as novel target for controlling Aedes aegypti – molecular modeling, docking and simulation studies

The representation of 3D model of <em>Aedes aegypti</em> UDP N-acetyl glucosamine pyrophosphorylase (AaUAP).
Fig. 1: The representation of 3D model of Aedes aegypti UDP N-acetyl glucosamine pyrophosphorylase (AaUAP).
Schematic representations of 2D images of ligands used in this study
Fig. 2: Schematic representations of 2D images of ligands used in this study
<strong>(A-J)</strong> Schematic representations of 2D images of inhibitors used for docking
Fig. 3: (A-J) Schematic representations of 2D images of inhibitors used for docking
Validation results for the modeled protein A) The Ramachandran plot and B) The Verify3D plot
Fig. 4: Validation results for the modeled protein A) The Ramachandran plot and B) The Verify3D plot
Representation of sequence alignment of the template (1JV1) and target (AaUAP)
Fig. 5: Representation of sequence alignment of the template (1JV1) and target (AaUAP)
Binding modes of the complexes of AaUAP with A) NAGP and UTP, B) UDPGalNAc, C) NAG9 and D) The surface representation of the protein AaUAP with NAG9 in the active site
Fig. 6: Binding modes of the complexes of AaUAP with A) NAGP and UTP, B) UDPGalNAc, C) NAG9 and D) The surface representation of the protein AaUAP with NAG9 in the active site
<strong>(A-F)</strong> Molecular dynamic simulation results of AaUAP (A, C and E), AaUAP-NAGP-UTP and AaUAP-UDPGalNAc (B, D and F
Fig. 7: (A-F) Molecular dynamic simulation results of AaUAP (A, C and E), AaUAP-NAGP-UTP and AaUAP-UDPGalNAc (B, D and F
International Journal of Mosquito Research