期刊
JOURNAL OF MEDICINAL CHEMISTRY
卷 63, 期 15, 页码 8485-8494出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jmedchem.0c00853
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资金
- Ministry of Science and Technology [106-2113-M-002-021-MY3, 108-2321-B-002-056-, 107-2923-B-002-001-MY4]
- National Taiwan University [NTU-109L891905]
Phosphodiesterase 5A1 (PDES) is a key target for treating cardiovascular diseases and erectile dysfunction. Here, we report the crystal structure of PDES complexed with the sole second generation drug avanafil. Analysis of protein-drug interactions revealed the structural basis of avanafil's superior isoform selectivity. Moreover, a halogen bonding was observed between avanafil and a backbone carbonyl oxygen of an adjacent alpha-helix, whose contribution to inhibitory potency illustrates the feasibility of exploiting alpha-helix backbone in structure-based drug design.
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