Combining 2D and 3D in silico methods for rapid selection of potential PDE5 inhibitors from multimillion compounds' repositories: Biological evaluation

Molecular Diversity

Volumn 16, Issue 1, 2012, Pages 59-72

  Tömöri, Tünde ^a   Hajdú, István ^a   Barna, László ^b   Lőrincz, Zsolt ^a   Cseh, Sándor ^a   Dormán, György ^a  

^a TargetEx   (Hungary)

^b INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

2D similarity selection; 3D docking; In vitro screening; Phosphodiesterase 5 inhibitor; Virtual screening

Indexed keywords

DIPYRIDAMOLE; PHOSPHODIESTERASE V; PHOSPHODIESTERASE V INHIBITOR; SILDENAFIL; ZAPRINAST;

ARTICLE; COMPUTER MODEL; CONCENTRATION (PARAMETERS); DRUG SCREENING; IC 50; MACHINE LEARNING; PHARMACOPHORE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN INTERACTION; PROTEIN STRUCTURE; SCREENING TEST;

EID: 84858706599     PISSN: 13811991     EISSN: 1573501X     Source Type: Journal    
DOI: 10.1007/s11030-011-9335-0     Document Type: Article

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