Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach
Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach
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United States: Public Library of Science
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Language
English
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United States: Public Library of Science
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PARP-1 inhibition has been studied over the last decades for the treatment of various diseases. Despite the fact that several molecules act as PARP-1 inhibitors, a reduced number of compounds are used in clinical practice. To identify new compounds with a discriminatory PARP-1 inhibitory function, explicit-solvent molecular dynamics simulations usi...
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Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach
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TN_cdi_plos_journals_1861821854
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_1861821854
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ISSN
1932-6203
E-ISSN
1932-6203
DOI
10.1371/journal.pone.0170846
