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Volumn 10, Issue 1, 2000, Pages 31-34

The utilization of a unified pharmacophore query in the discovery of new antagonists of the adenosine receptor family

Author keywords

[No Author keywords available]

Indexed keywords

5,9 DIHYDRO 6 METHOXYCARBONYL 9 METHYL 2 PHENYL 1,2,4 TRIAZOLO[5,1 A][2,7]NAPHTHYRIDINE; 9 CHLORO 2 (2 FURYL) 5 PHENYLACETYLAMINO 1,2,4 TRIAZOLO[1,5 C]QUINAZOLINE; ADENOSINE A3 RECEPTOR; ADENOSINE A3 RECEPTOR ANTAGONIST; ADENOSINE RECEPTOR; ADENOSINE RECEPTOR BLOCKING AGENT; L 268605; MRS 1067; UNCLASSIFIED DRUG;

EID: 0034598352     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0960-894X(99)00583-1     Document Type: Article
Times cited : (27)

References (26)
  • 15
    • 0041406392 scopus 로고
    • Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow; Chapter 6
    • See Mason, J. S. In Molecular Similarity in Drug Design; Dean, P. M., Ed.; Blackie Academic and Professional: Glasgow, 1995; Chapter 6, pp. 138-162.
    • (1995) Molecular Similarity in Drug Design , pp. 138-162
    • Mason, J.S.1
  • 20
    • 0342787952 scopus 로고    scopus 로고
    • TM is a product of ChemBridge Corporation of San Diego, CA. This collection has approximately 9600 compounds currently in stock. This collection started from a database of 250,000 compounds that were potentially available from sources throughout the former Soviet Union. Compounds were initially selected by the application of molecular weight limits (≤500), logP limits (≤5), rotatable bond limits and limits for the number of hydrogen bond donor and acceptors using the 'rule of five' guidelines (See Lipinski, C. A.; Lombardo, F.; Dominy, B. W. Adv. Drug Delivery Rev. 1997, 23, 3). The resulting set of compounds was further filtered to remove reactive and other undesirable compounds. Finally a set of representative desirable compounds was selected by medicinal chemistry expertise and checked for pharmacophore diversity in Chem-X
    • TM is a product of ChemBridge Corporation of San Diego, CA. This collection has approximately 9600 compounds currently in stock. This collection started from a database of 250,000 compounds that were potentially available from sources throughout the former Soviet Union. Compounds were initially selected by the application of molecular weight limits (≤500), logP limits (≤5), rotatable bond limits and limits for the number of hydrogen bond donor and acceptors using the 'rule of five' guidelines (See Lipinski, C. A.; Lombardo, F.; Dominy, B. W. Adv. Drug Delivery Rev. 1997, 23, 3). The resulting set of compounds was further filtered to remove reactive and other undesirable compounds. Finally a set of representative desirable compounds was selected by medicinal chemistry expertise and checked for pharmacophore diversity in Chem-X.
  • 24
    • 0343222553 scopus 로고    scopus 로고
    • Chem-X is a product of Chemical Design, An Oxford Molecular Company, Oxford, England. The July 1998 version running on a Dell Dimension XPS Pro 200n PC was used in this study. The 3-center pharmacophore was used for this study. The 4-center pharmacophore option is also available. Definitions of the pharmacophore geometry and types are available as part of the documentation for this software
    • Chem-X is a product of Chemical Design, An Oxford Molecular Company, Oxford, England. The July 1998 version running on a Dell Dimension XPS Pro 200n PC was used in this study. The 3-center pharmacophore was used for this study. The 4-center pharmacophore option is also available. Definitions of the pharmacophore geometry and types are available as part of the documentation for this software see http://www.oxmol.com/prods/chem-x/.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.