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PDBsum entry 6dv4
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Hydrolase, antiviral protein
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PDB id
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6dv4
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References listed in PDB file
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Key reference
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Title
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Design, Synthesis, And X-Ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the p2 ligands.
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Authors
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A.K.Ghosh,
R.D.Jadhav,
H.Simpson,
S.Kovela,
H.Osswald,
J.Agniswamy,
Y.F.Wang,
S.I.Hattori,
I.T.Weber,
H.Mitsuya.
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Ref.
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Eur J Med Chem, 2018,
160,
171-182.
[DOI no: ]
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PubMed id
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Abstract
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We describe the design, synthesis, and biological evaluation of a series of
novel HIV-1 protease inhibitors with carboxamide derivatives as the P2 ligands.
We have specifically designed aminothiochromane and
aminotetrahydronaphthalene-based carboxamide ligands to promote hydrogen bonding
and van der Waals interactions in the active site of HIV-1 protease. Inhibitors
4e and 4j have shown potent enzyme inhibitory and antiviral activity. High
resolution X-ray crystal structures of 4d- and 4k-bound HIV-1 protease revealed
molecular insights into the ligand-binding site interactions.
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