메뉴 건너뛰기




Volumn 18, Issue 20, 2008, Pages 5391-5395

Use of the X-ray structure of the β2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds

Author keywords

2 Adrenergic receptor; Carvedilol; Corazolol; GPCR; High throughput docking; Timolol

Indexed keywords

BETA 2 ADRENERGIC RECEPTOR; BETA ADRENERGIC RECEPTOR BLOCKING AGENT; BETA ADRENERGIC RECEPTOR STIMULATING AGENT; CARVEDILOL; CORAZOLOL; G PROTEIN COUPLED RECEPTOR; RADIOLIGAND; TIMOLOL; UNCLASSIFIED DRUG;

EID: 53349102957     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2008.09.046     Document Type: Article
Times cited : (79)

References (21)
  • 8
    • 53349100381 scopus 로고    scopus 로고
    • note
    • Glide v4.0 with Maestro v7.5, Glide v4.5 with Maestro v8.0, and Jaguar v7.0; Schrödinger, LLC:2005, Portland, Oregon, US.
  • 9
    • 53349117100 scopus 로고    scopus 로고
    • note
    • Protein Data Bank entry 2rh1.
  • 10
    • 53349102534 scopus 로고    scopus 로고
    • note
    • 8 was used to adjust protonation states to pH 7. Some of the docked binding complexes using the commercial database contained obvious computational artifacts (e.g., strained geometries or clashes between the ligand and the protein) and were removed in the selection. Thus, the 150 selected compounds were taken from the 177 top-ranked structures, i.e., 22 were removed.
  • 12
    • 53349121476 scopus 로고    scopus 로고
    • note
    • 50 values.
  • 13
    • 53349144811 scopus 로고    scopus 로고
    • note
    • i values using PRISM software (GraphPad Software, San Diego, CA).
  • 17
    • 53349109965 scopus 로고    scopus 로고
    • note
    • CORINA Molecular Networks. www.molecular-networks.de; Henkestraβe 91, 91052 Erlangen, Germany. Tel.: +49 9131 815668.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.