Pharmacophore modeling, docking, and principal component analysis based clustering: Combined computer-assisted approaches to identify new inhibitors of the human rhinovirus coat protein

Journal of Medicinal Chemistry

Volumn 48, Issue 20, 2005, Pages 6250-6260

  Steindl, Theodora M ^a   Crump, Carolyn E ^b   Hayden, Frederick G ^b   Langer, Thierry ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b UNIVERSITY OF VIRGINIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AW 00641; COAT PROTEIN; HAN 00352; HTS 05404; HTS 05408; PIRODAVIR; PLECONARIL; PROTEIN INHIBITOR; RHINOVIRUS COAT PROTEIN INHIBITOR; SDZ 35 682; SP 00704; UNCLASSIFIED DRUG;

ANTIVIRAL ACTIVITY; CLUSTER ANALYSIS; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFERENCE PAPER; DRUG DETERMINATION; IN VITRO STUDY; MOLECULAR MODEL; NONHUMAN; PHARMACOPHORE; PRINCIPAL COMPONENT ANALYSIS; RHINOVIRUS; SCREENING TEST; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; VIRTUAL REALITY; VIRUS INHIBITION;

ANTIVIRAL AGENTS; BINDING SITES; CAPSID PROTEINS; CELL LINE; COMPUTER SIMULATION; CYTOPATHOGENIC EFFECT, VIRAL; DATABASES, FACTUAL; HUMANS; MODELS, MOLECULAR; PRINCIPAL COMPONENT ANALYSIS; RHINOVIRUS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 26444452660     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050343d     Document Type: Conference Paper

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