Identification of potent urease inhibitors via ligand- and structure-based virtual screening and in vitro assays

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 8, 2010, Pages 792-798

  Khan, Khalid M ^a   Wadood, Abdul ^a   Ali, Muhammad ^a   Zia Ullah, ^a   Ul Haq, Zaheer ^a   Lodhi, M Arif ^a   Khan, Momin ^a   Perveen, Shahnaz ^b   Choudhary, M Iqbal ^a  

^a UNIVERSITY OF KARACHI   (Pakistan)

^b PCSIR LABORATORIES COMPLEX   (Pakistan)

Author keywords

2 aminothiophene; Phytotoxicity; Urease inhibition; Virtual screening

Indexed keywords

DONOR ATOMS; IN-VITRO; IN-VITRO ASSAYS; MOLECULAR DOCKING; PHARMACOPHORE MODELS; PLANT CELLS; STRUCTURE-BASED; UREASE INHIBITORS; VIRTUAL SCREENING;

LIGANDS;

2 AMINOTHIOPHINE; ACETOXYHYDROXAMIC ACID; BISCOUMARIN DERIVATIVE; HYDROXAMIC ACID DERIVATIVE; IMIDAZOLE DERIVATIVE; LIGAND; ORGANIC COMPOUND; UNCLASSIFIED DRUG; UREASE; UREASE INHIBITOR;

AGRICULTURE; ARTICLE; ATOM; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG ACTIVITY; DRUG DETERMINATION; DRUG IDENTIFICATION; DRUG POTENCY; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; HYDROPHOBICITY; IN VITRO STUDY; MOLECULAR DOCKING; PHARMACOPHORE; PLANT CELL; PRIORITY JOURNAL; VIRTUAL REALITY;

ANIMALS; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP; UREASE;

EID: 77951974178     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.02.004     Document Type: Article

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