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

Rapid in silico selection of target focused libraries from commercial repositories is an attractive and cost-effective approach when starting new drug discovery projects. If structures of active compounds are available rapid 2D similarity search can be performed on multimillion compounds’ databases....

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Veröffentlicht in:	Molecular diversity 2012-02, Vol.16 (1), p.59-72
Hauptverfasser:	Tömöri, Tünde, Hajdú, István, Barna, László, Lőrincz, Zsolt, Cseh, Sándor, Dormán, György
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Biochemistry Biomedical and Life Sciences Cell Line Chemical compounds Computational Biology - methods Cyclic Nucleotide Phosphodiesterases, Type 5 - metabolism Drug Evaluation, Preclinical - methods Full-Length Paper Inhibitor drugs Life Sciences Models, Molecular Molecular structure Organic Chemistry Pharmaceutical sciences Pharmacy Phosphodiesterase 5 Inhibitors - analysis Phosphodiesterase 5 Inhibitors - chemistry Phosphodiesterase 5 Inhibitors - pharmacology Piperazines - analysis Piperazines - chemistry Piperazines - pharmacology Polymer Sciences Protein Interaction Maps Purines - analysis Purines - chemistry Purines - pharmacology Reference Standards Sildenafil Citrate Small Molecule Libraries - analysis Small Molecule Libraries - pharmacology Sulfones - analysis Sulfones - chemistry Sulfones - pharmacology Virtual reality
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