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Docking Interaction of Chromium(III) Phenylalanine with Protein Tyrosine Phosphatase
Ambarwati Y.a, Martoprawiro M.A.b, Mulyani I.b, Ismunandarb, Onggo D.b
a Inorganic Chemistry Division, Faculty of Mathematics and Natural Sciences, Universitas Lampung, Lampung, 35141, Indonesia
b Inorganic and Physical Chemistry Division, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Bandung, 40132, Indonesia
[vc_row][vc_column][vc_row_inner][vc_column_inner][vc_separator css=”.vc_custom_1624529070653{padding-top: 30px !important;padding-bottom: 30px !important;}”][/vc_column_inner][/vc_row_inner][vc_row_inner layout=”boxed”][vc_column_inner width=”3/4″ css=”.vc_custom_1624695412187{border-right-width: 1px !important;border-right-color: #dddddd !important;border-right-style: solid !important;border-radius: 1px !important;}”][vc_empty_space][megatron_heading title=”Abstract” size=”size-sm” text_align=”text-left”][vc_column_text]© Published under licence by IOP Publishing Ltd.Chromium(III) complexes have been known to increase insulin absorption and decrease glucose levels in the blood, so Cr(III) complexes can be used as an antidiabetic supplement especially for people with diabetes type 2. The experimentally Cr(III) complexes proven to decrease glucose level, but the role mechanism of Cr(III) complexes in the body until now there is no explain in detail. In this research, the interaction of Cr(III) phenylalanine [Cr(phe)3] with protein tyrosine phosphatase (PTP) was studied by molecular docking. The aims this study was to identify the active site of PTP that binding with those Cr(III) phenylalanine. This research performed by computational calculations Hartree-Fock with basis set 6-31G, the interaction with PTP used the Autodock Vina software. The results showed that [Cr(phe)3] interact with 5 amino acids of PTP, i.e Leu(13), Arg(18), Ser(94), Asp(129) and Tyr(131) with the interaction energy of-6,6 Kcal/mol. The results showed that the interaction Cr(III) phenylalanine with PTP indicate hydrogen bonding with bond leght from 1,8 Å to 2,9 Å.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Author keywords” size=”size-sm” text_align=”text-left”][vc_column_text]Anti diabetics,Autodock vinas,Chromium complexes,Computational calculations,Glucose level,Interaction energies,Molecular docking,Protein-tyrosine phosphatase[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Indexed keywords” size=”size-sm” text_align=”text-left”][vc_column_text][/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”Funding details” size=”size-sm” text_align=”text-left”][vc_column_text]The researchers are grateful to the Faculty of Mathematics and Natural Sciences, Universitas Lampung for providing funding for this project which was carried out through DIPA 2018 research grants. Thanks also to the Institut Teknologi Bandung (ITB) for its help in calculating on the HPC server.[/vc_column_text][vc_empty_space][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][vc_empty_space][megatron_heading title=”DOI” size=”size-sm” text_align=”text-left”][vc_column_text]https://doi.org/10.1088/1742-6596/1338/1/012009[/vc_column_text][/vc_column_inner][vc_column_inner width=”1/4″][vc_column_text]Widget Plumx[/vc_column_text][/vc_column_inner][/vc_row_inner][/vc_column][/vc_row][vc_row][vc_column][vc_separator css=”.vc_custom_1624528584150{padding-top: 25px !important;padding-bottom: 25px !important;}”][/vc_column][/vc_row]