Publication: Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis
Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis
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Huang, D., Zhou, T., Lafleur, K., Nevado, C., & Caflisch, A. (2010). Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis. Bioinformatics, 26(2), 198–204. https://doi.org/10.1093/bioinformatics/btp650
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Motivation and method: Small-molecule inhibitors targeting the ATP binding pocket of the catalytic domain of protein kinases have potential to become drugs devoid of (major) side-effects, particularly if they bind selectively. Here, the sequences of the 518 human kinases are first mapped onto the structural alignment of 116 kinases of known three-dimensional structure. The multiple-structure alignment is then used to encode the known strategies for developing selective inhibitors into a fingerprint. Finally, a network analysis is used
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- Huang, D
- Zhou, T
- Lafleur, K
- Nevado, C
- Caflisch, A
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Huang, D., Zhou, T., Lafleur, K., Nevado, C., & Caflisch, A. (2010). Kinase selectivity potential for inhibitors targeting the ATP binding site: A network analysis. Bioinformatics, 26(2), 198–204. https://doi.org/10.1093/bioinformatics/btp650
