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Online Journal of Bioinformatics


Volume 21 (3):274-279, 2020.

In silico binding 3D model of ascorbic acid transport protein with tocopherol and curcumin.

Upadhyaya J, Rajesh KR, Misra K, Krishna M.


Indian Institute of Information Technology, Jhalwa, Allahabad- 211012




Upadhyaya J, Rajesh KR, Misra K, Krishna M., In silico binding 3D model of ascorbic acid transport protein with tocopherol and curcumin, Onl J Bioinform 21 (3):274-279, 2020. Ascorbic acid absorption requires two sodium-dependent vitamin C transporters, SVCT1 and SVCT2. One human gene SLC23A1, encodes one of these transporters. We created a 3D In Silico model transporter protein SLC23A1 with MODELER and RAMPAGE to determine active sites for ascorbic acid in the presence of α-tocopherol and curcumin. We found 528 (88.9%) amino acids in favored and 45 (7.6%) in allowed regions. Ascorbic acid transporter NCBI_ID:44680145 had ~89.9% homology suggesting that α-tocopherol and curcumin may enhance bioavailability of ascorbic acid. Ascorbic acid docked to a different cavity to α-tocopherol and curcumin docked in one cavity. Binding of the two ligands at a specific allosteric site on the enzyme may strengthen binding of ascorbic acid at the specific site resulting in improved transport and bioavailability.


Key-Words: In silico 3D, binding, ascorbic acid, tocopherol, curcumin.