Prediction of an MMP-1 inhibitor activity cliff using the SAR matrix approach and its experimental validation

A matrix metalloproteinase 1 (MMP-1) inhibitor activity cliff was predicted using the SAR Matrix method. Compound 4 was predicted as a highly potent activity cliff partner and found to possess 60 times higher inhibitory activity against MMP-1 than the structurally related compound 3. Furthermore, ph...

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Detalles Bibliográficos
Autores principales: Asawa, Yasunobu, Yoshimori, Atsushi, Bajorath, Jürgen, Nakamura, Hiroyuki
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7477548/
https://www.ncbi.nlm.nih.gov/pubmed/32895466
http://dx.doi.org/10.1038/s41598-020-71696-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7477548/
https://www.ncbi.nlm.nih.gov/pubmed/32895466
http://dx.doi.org/10.1038/s41598-020-71696-2

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