Molecular Docking Studies Involving Transitional Metal Complexes (Zn(II), Co(II), Cu(II), Fe(II), Ni(II) with Cholic Acid (AC) as Ligand against Aurora A Kinase


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Colorectal cancer is a malignant tumor, one of the main types of cancer which produces a large number of deaths each year in many countries around the world. The main objective of this work is to employ various bioinformatics tools to perform docking of the transitional metal complexes (Zn (II), Co (II), Cu (II), Fe (II), Ni (II)) with cholic acid (AC) as ligand against Aurora A Kinase (RCSB Protein Data Bank code: 2X6E). Molegro Virtual Docker (MVD) was used for the docking process. The molecular docking score and the values of the statistic parameter Root Mean Square Deviation (RMSD) are presented in Table 1. The results obtained in this study serve to design new complex combinations with potential action against Aurora A Kinase inhibitor.



Edited by:

Honghua Tan




A. Beteringhe et al., "Molecular Docking Studies Involving Transitional Metal Complexes (Zn(II), Co(II), Cu(II), Fe(II), Ni(II) with Cholic Acid (AC) as Ligand against Aurora A Kinase", Advanced Materials Research, Vol. 787, pp. 236-240, 2013

Online since:

September 2013




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