Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead modification: Syntheses and biological assays (Englisch)
- Neue Suche nach: Adhikari, Nilanjan
- Neue Suche nach: Halder, Amit K.
- Neue Suche nach: Mallick, Sumana
- Neue Suche nach: Saha, Achintya
- Neue Suche nach: Saha, Kishna D.
- Neue Suche nach: Jha, Tarun
- Neue Suche nach: Adhikari, Nilanjan
- Neue Suche nach: Halder, Amit K.
- Neue Suche nach: Mallick, Sumana
- Neue Suche nach: Saha, Achintya
- Neue Suche nach: Saha, Kishna D.
- Neue Suche nach: Jha, Tarun
In:
Bioorganic and Medicinal Chemistry
;
24
, 18
;
4291-4309
;
2016
-
ISSN:
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead modification: Syntheses and biological assays
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Beteiligte:Adhikari, Nilanjan ( Autor:in ) / Halder, Amit K. ( Autor:in ) / Mallick, Sumana ( Autor:in ) / Saha, Achintya ( Autor:in ) / Saha, Kishna D. ( Autor:in ) / Jha, Tarun ( Autor:in )
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Erschienen in:Bioorganic and Medicinal Chemistry ; 24, 18 ; 4291-4309
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Verlag:
- Neue Suche nach: Elsevier Ltd
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Erscheinungsdatum:12.07.2016
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Format / Umfang:19 pages
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ISSN:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:CoMFA , comparative molecular field analysis , CoMSIA , comparative molecular similarity analysis , DS , discovery studio software , FT-IR , Fourier transform infrared spectroscopy , HDAC , histone deacetylase , HMBC , heteronuclear multiple bond correlation , MMP , matrix metalloproteinase , MM-GBSA , molecular mechanics combined with generalized Born and surface-area salvation , Mp , melting point , MS , mass spectroscopy , MLR , multiple linear regression , NMR , nuclear magnetic resonance , QPLD , quantum polarized ligand docking , QSAR , quantitative structure activity relationship , RMSD , root mean square deviation , ROC , receiver operating characteristic , RMSF , root mean square fluctuation , Matrix metalloproteinase 2 , Pharmacophore mapping , A549 cell line , Invasion assay
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Datenquelle:
Inhaltsverzeichnis – Band 24, Ausgabe 18
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