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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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Bibliographic Details
Published in:Sci Rep
Main Authors: Asawa, Yasunobu, Yoshimori, Atsushi, Bajorath, Jürgen, Nakamura, Hiroyuki
Format: Artigo
Language:Inglês
Published: Nature Publishing Group UK 2020
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7477548/
https://ncbi.nlm.nih.gov/pubmed/32895466
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-020-71696-2
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