publication . Article . 2011

Titanocene anticancer complexes and their binding mode of action to human serum albumin: A computational study

Susan W. Sarsam; David R. Nutt; Katja Strohfeldt; Kimberly A. Watson;
Open Access English
  • Published: 01 Feb 2011
  • Publisher: RSC Publishing
  • Country: United Kingdom
Abstract
Due to the pivotal role played by human serum albumin (HSA) in the transport and cytotoxicity of titanocene complexes, a docking study has been performed on a selected set of titanocene complexes to aid in the current understanding of the potential mode of action of these titanocenes upon binding HSA. Analysis of the docking results has revealed potential binding at the known drug binding sites in HSA and has provided some explanation for the specificity and subsequent cytotoxicity of these titanocenes. Additionally, a new alternative binding site for these titanocenes has been postulated.
Subjects
Medical Subject Headings: body regionsembryonic structures
free text keywords: Biophysics, Biochemistry, Chemistry (miscellaneous), Metals and Alloys, Biomaterials, Mode of action, Cytotoxicity, Stereochemistry, Docking (dog), Plasma protein binding, Human serum albumin, medicine.drug, medicine, Chemistry, Binding site, Serum albumin, biology.protein, biology
25 references, page 1 of 2

21. N. J. Sweeney, J. Claffey, H. Müller-Bunz, C. Pampillón, K. Strohfeldt and M. Tacke, Appl. Organomet. Chem., 2007, 21, 57-65.

22. O. Oberschmidt, A.-R. Hanauske, C. Pampillón, K. Strohfeldt, N. J. Sweeney and M. Tacke, Anti-Cancer Drugs, 2007, 18, 317-321. 5 23. P. Beckhove, A.-R. Hanauske, O. Oberschmidt, C. Pampillón, V. Schirrmacher, N. J. Sweeney, K. Strohfeldt and M. Tacke, Anti-Cancer Drugs, 2007, 18, 311-315.

24. K. Strohfeldt, H. Müller-Bunz, C. Pampillion, N. J. Sweeney and M. Tacke, Eur. J. Inorg. Chem., 2006, 4621-4628.

25. C. Pampillón, N. Sweeney, K. Strohfeldt and M. Tacke, Inorg. Chim. Acta, 2006, 359, 3969- 10 3975.

26. N. J. Sweeney, W. M. Gallagher, H. Müller-Bunz, C. Pampillón, K. Strohfeldt and M. Tacke, J. Inorg. Biochem., 2006, 100, 1479-1486.

27. K. O'Connor, C. Gill, M. Tacke, F.-J. K. Rehmann, K. Strohfeldt, N. Sweeney, J. M. Fitzpatrick and R. W. G. Watson, Apoptosis, 2006, 11, 1205-1214. 15 28. C. Pampillón, K. Strohfeldt, N. J. Sweeney and M. Tacke, Polyhedron, 2006, 25, 2101-2108.

29. M. C. Valadares, A. L. Ramos, F.-J. K. Rehmann, N. J. Sweeney, K. Strohfeldt, M. Tacke and M. L. S. Queiroz, Eur. J. of Pharmacolgy, 2006, 534, 264-270.

30. I. Fichtner, C. Pampillón, N. J. Sweeney, K. Strohfeldt and M. Tacke, Anti-Cancer Drugs, 2006, 17, 333-336. 20 31. O. Oberschmidt, A.-R. Hanauske, F.-J. K. Rehmann, K. Strohfeldt, N. Sweeney and M. Tacke, Anti-Cancer Drugs, 2005, 16, 1071-1073.

32. G. Kelter, N. J. Sweeney, K. Strohfeldt, H.-H. Fiebig and M. Tacke, Anti-Cancer Drugs, 2005, 16, 1091-1098.

33. N. J. Sweeney, O. Mendoza, H. Müller-Bunz, C. Pampillón, F.-J. K. Rehmann, K. Strohfeldt 25 and M. Tacke, J. Organomet. Chem., 2005, 690, 4537-4544.

34. F.-J. K. Rehmann, A. J. Rous, O. Mendoza, N. J. Sweeney, K. Strohfeldt, W. M. Gallagher and M. Tacke, Polyhedron, 2005, 24(11), 1250-1255.

35. F.-J. K. Rehmann, L. P. Cuffe, O. Mendoza, D. K. Rai, N. Sweeney, K. Strohfeldt, W. M. Gallagher and M. Tacke, Appl. Organomet. Chem., 2005, 19, 293-300. 30 36. P. M. Abeysinghe and M. M. Harding, Dalton Trans., 2007, 3474-3482.

37. M. Guo and P. J. Sadler, J. Chem. Soc., Dalton Trans., 2000, 7-9.

38. M. Guo, H. Sun, H. J. McArdle, L. Gambling and P. J. Sadler, Biochemistry, 2000, 39, 10023- 10033.

39. A. D. Tinoco, E. V. Eames and A. M. Valentine, J. Am. Chem. Soc., 2008, 130, 2262-2270.

25 references, page 1 of 2
Abstract
Due to the pivotal role played by human serum albumin (HSA) in the transport and cytotoxicity of titanocene complexes, a docking study has been performed on a selected set of titanocene complexes to aid in the current understanding of the potential mode of action of these titanocenes upon binding HSA. Analysis of the docking results has revealed potential binding at the known drug binding sites in HSA and has provided some explanation for the specificity and subsequent cytotoxicity of these titanocenes. Additionally, a new alternative binding site for these titanocenes has been postulated.
Subjects
Medical Subject Headings: body regionsembryonic structures
free text keywords: Biophysics, Biochemistry, Chemistry (miscellaneous), Metals and Alloys, Biomaterials, Mode of action, Cytotoxicity, Stereochemistry, Docking (dog), Plasma protein binding, Human serum albumin, medicine.drug, medicine, Chemistry, Binding site, Serum albumin, biology.protein, biology
25 references, page 1 of 2

21. N. J. Sweeney, J. Claffey, H. Müller-Bunz, C. Pampillón, K. Strohfeldt and M. Tacke, Appl. Organomet. Chem., 2007, 21, 57-65.

22. O. Oberschmidt, A.-R. Hanauske, C. Pampillón, K. Strohfeldt, N. J. Sweeney and M. Tacke, Anti-Cancer Drugs, 2007, 18, 317-321. 5 23. P. Beckhove, A.-R. Hanauske, O. Oberschmidt, C. Pampillón, V. Schirrmacher, N. J. Sweeney, K. Strohfeldt and M. Tacke, Anti-Cancer Drugs, 2007, 18, 311-315.

24. K. Strohfeldt, H. Müller-Bunz, C. Pampillion, N. J. Sweeney and M. Tacke, Eur. J. Inorg. Chem., 2006, 4621-4628.

25. C. Pampillón, N. Sweeney, K. Strohfeldt and M. Tacke, Inorg. Chim. Acta, 2006, 359, 3969- 10 3975.

26. N. J. Sweeney, W. M. Gallagher, H. Müller-Bunz, C. Pampillón, K. Strohfeldt and M. Tacke, J. Inorg. Biochem., 2006, 100, 1479-1486.

27. K. O'Connor, C. Gill, M. Tacke, F.-J. K. Rehmann, K. Strohfeldt, N. Sweeney, J. M. Fitzpatrick and R. W. G. Watson, Apoptosis, 2006, 11, 1205-1214. 15 28. C. Pampillón, K. Strohfeldt, N. J. Sweeney and M. Tacke, Polyhedron, 2006, 25, 2101-2108.

29. M. C. Valadares, A. L. Ramos, F.-J. K. Rehmann, N. J. Sweeney, K. Strohfeldt, M. Tacke and M. L. S. Queiroz, Eur. J. of Pharmacolgy, 2006, 534, 264-270.

30. I. Fichtner, C. Pampillón, N. J. Sweeney, K. Strohfeldt and M. Tacke, Anti-Cancer Drugs, 2006, 17, 333-336. 20 31. O. Oberschmidt, A.-R. Hanauske, F.-J. K. Rehmann, K. Strohfeldt, N. Sweeney and M. Tacke, Anti-Cancer Drugs, 2005, 16, 1071-1073.

32. G. Kelter, N. J. Sweeney, K. Strohfeldt, H.-H. Fiebig and M. Tacke, Anti-Cancer Drugs, 2005, 16, 1091-1098.

33. N. J. Sweeney, O. Mendoza, H. Müller-Bunz, C. Pampillón, F.-J. K. Rehmann, K. Strohfeldt 25 and M. Tacke, J. Organomet. Chem., 2005, 690, 4537-4544.

34. F.-J. K. Rehmann, A. J. Rous, O. Mendoza, N. J. Sweeney, K. Strohfeldt, W. M. Gallagher and M. Tacke, Polyhedron, 2005, 24(11), 1250-1255.

35. F.-J. K. Rehmann, L. P. Cuffe, O. Mendoza, D. K. Rai, N. Sweeney, K. Strohfeldt, W. M. Gallagher and M. Tacke, Appl. Organomet. Chem., 2005, 19, 293-300. 30 36. P. M. Abeysinghe and M. M. Harding, Dalton Trans., 2007, 3474-3482.

37. M. Guo and P. J. Sadler, J. Chem. Soc., Dalton Trans., 2000, 7-9.

38. M. Guo, H. Sun, H. J. McArdle, L. Gambling and P. J. Sadler, Biochemistry, 2000, 39, 10023- 10033.

39. A. D. Tinoco, E. V. Eames and A. M. Valentine, J. Am. Chem. Soc., 2008, 130, 2262-2270.

25 references, page 1 of 2
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