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Rationalized Computer-Aided Design of Matrix-Metalloprotease-Selective Prodrugs

Jain, M.
; 
Harburn, J.J.
; 
Gill, Jason H.
; ; 
Falconer, Robert A.
; 
Mooney, C.A.
; 
Cobb, S.L.
; 
Berry, David J.
Publication Date
2017-05-25
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Keywords
Computer-Aided Design, Prodrugs
Rights
(c) 2017 ACS. This document is the Accepted Manuscript version of a Published Work that appeared in final form in the Journal of Medicinal Chemistry. To access the final edited and published work see http://dx.doi.org/10.1021/acs.jmedchem.6b01472.
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openAccess
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Abstract
Matrix metalloproteinases (MMPs) are central to cancer development and metastasis. They are highly active in the tumor environment and absent or inactive in normal tissues; therefore they represent viable targets for cancer drug discovery. In this study we evaluated in silico docking to develop MMP-subtype-selective tumor-activated prodrugs. Proof of principle for this therapeutic approach was demonstrated in vitro against an aggressive human glioma model, with involvement of MMPs confirmed using pharmacological inhibition.
URI
http://hdl.handle.net/10454/12041
Version
Accepted manuscript
Citation
Jain M, Harburn JJ, Gill JH et al (2017) Rationalized Computer-Aided Design of Matrix- Metalloprotease-Selective Prodrugs. Journal of Medicinal Chemistry. 60(10): 4496-4502.
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https://doi.org/10.1021/acs.jmedchem.6b01472
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Article
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