Large-scale virtual screening for the identification of new Helicobacter pylori urease inhibitor scaffolds

Journal of Molecular Modeling

Volumn 18, Issue 7, 2012, Pages 2917-2927

  Azizian, Homa ^a   Nabati, Farzaneh ^a   Sharifi, Amirhossein ^a   Siavoshi, Farideh ^b   Mahdavi, Mohammad ^a   Amanlou, Massoud ^a,c  

^a TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^b UNIVERSITY OF TEHRAN   (Iran)

^c TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

5 Benzylidene barbituric acid; Docking; Helicobacter pylori; Urease inhibitors; Virtual screening

Indexed keywords

5 BENZYLIDENE BARBITURIC ACID; BARBITURIC ACID; BARBITURIC ACID DERIVATIVE; HELICOBACTER PYLORI UREASE; HELICOBACTER PYLORI UREASE INHIBITOR; HYDROLASE; HYDROXYUREA; THIAZOLIDINE DERIVATIVE; UNCLASSIFIED DRUG; UREASE INHIBITOR;

ARTICLE; DRUG SCREENING; ENZYME INHIBITION; HELICOBACTER PYLORI; IC 50; IN VITRO STUDY; MOLECULAR DOCKING; PRIORITY JOURNAL;

BARBITURATES; CATALYTIC DOMAIN; COMPUTER SIMULATION; ENZYME INHIBITORS; HELICOBACTER PYLORI; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; UREASE;

HELICOBACTER PYLORI; HUMAN ECHOVIRUS 1;

EID: 84864654432     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1310-2     Document Type: Article

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