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OJBTM

Online Journal of Bioinformatics©

Established 1995

ISSN  1443-2250

 

Volume 24 (3):156-171, 2023.

In Silico docking human glut5 protein intestinal transport.

 

GV Padmavathi1, D Saralakumari1, P Nataraj Sekhar2

 

1Department of Biochemistry, Sri Krishnadevaraya University, Anantapur,2Katholike University (Leuven), Belgium.

 

ABSTRACT

 

Padmavathi GV1, Saralakumari D, Nataraj Sekhar P., In Silico docking human glut5 protein intestinal transport, Onl J Bioinform., 24 (3):156-171, 2023. GLUT5 in enterocytes facilitates fructose transport from intestinal lumen into blood. We constructed In silico 3D GLUT5 protein model interaction between sweeteners and inhibitors by crystal structure of glutaminase glucosamine 6-phosphate synthase. Model was designed by pico-second molecular dynamics simulation and minimization assessed by ERRAT, WHATCHECK and PROCHECK. Docking studies between sweeteners and inhibitors suggested fructose had most affinity but ingliforib exhibited most interaction with GLUT5. Our findings suggested Asn 94, Lys156, Asn 157 and Gln 178 were required residues for hydrogen bond binding with ligands.

 

Key words: GLUT5, homology modelling, Molecular Dynamics, Docking.

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