Non-Bisphosphonate Inhibitors of Isoprenoid Biosynthesis Identified via Computer-Aided Drug Design

Chemical Biology and Drug Design

Volumn 78, Issue 3, 2011, Pages 323-332

  Durrant, Jacob D ^a   Cao, Rong ^b   Gorfe, Alemayehu A ^c   Zhu, Wei ^b   Li, Jikun ^b   Sankovsky, Anna ^b   Oldfield, Eric ^b   Mccammon, J Andrew ^a,d  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^c UNIVERSITY OF TEXAS MEDICAL SCHOOL   (United States)

^d San Diego   (United States)

Author keywords

Dehydrosqualene synthase; Farnesyl diphosphate synthase; Isoprenoid biosynthesis; Molecular dynamics; Presqualene diphosphate; Squalene synthase; Undecaprenyl diphosphate synthase; Virtual screening

Indexed keywords

[1 HYDROXY 3 [METHYL(4 PHENYLBUTYL)AMINO] 1 PHOSPHONOPROPYL]PHOSPHONIC ACID; [1 PHOSPHONO 2 (PYRIDIN 2 YLAMINO)ETHYL]PHOSPHONIC ACID; [2 (DIMETHYL LAMBDA 4 SULFANYL) 1 HYDROXYETHANE 1,1 DIYL]BIS(PHOSPHONIC ACID); ANTIINFECTIVE AGENT; ANTINEOPLASTIC AGENT; BACTERIAL ENZYME; ENZYME INHIBITOR; GERANYLTRANSFERASE INHIBITOR; ISOPRENOID; ISOPRENOID BIOSYNTHESIS INHIBITOR; MAGNESIUM ION; MINODRONIC ACID; PHOSPHONIC ACID DERIVATIVE; TRANSFERASE INHIBITOR; UNCLASSIFIED DRUG; UNDECAPRENYL DIPHOSPHATE SYNTHASE INHIBITOR;

ARTICLE; COMPUTER AIDED DESIGN; CONTROLLED STUDY; DRUG DESIGN; DRUG IDENTIFICATION; DRUG PROTEIN BINDING; DRUG SCREENING; ENZYME ACTIVE SITE; ENZYME CONFORMATION; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SCORING SYSTEM; SIMULATION; VIRTUAL REALITY;

ALKYL AND ARYL TRANSFERASES; ANTI-BACTERIAL AGENTS; COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYME INHIBITORS; GERANYLTRANSTRANSFERASE; HUMANS; MODELS, MOLECULAR; STAPHYLOCOCCAL INFECTIONS; STAPHYLOCOCCUS AUREUS;

EID: 80051587151     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01164.x     Document Type: Article

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