Structure based virtual screening-driven identification of monastrol as a potent urease inhibitor

Journal of Molecular Graphics and Modelling

Volumn 43, Issue , 2013, Pages 47-57

  Rashid, Umer ^a,b   Batool, Iram ^a   Wadood, Abdul ^c   Khan, Ajmal ^d   Ul Haq, Zaheer ^d   Chaudhary, Muhammad Iqbal ^d   Ansari, Farzana Latif ^a  

^a QUAID I AZAM UNIVERSITY   (Pakistan)

^b HAZARA UNIVERSITY   (Pakistan)

^c ABDUL WALI KHAN UNIVERSITY   (Pakistan)

^d UNIVERSITY OF KARACHI   (Pakistan)

Author keywords

Dihydropyrimidines; Docking; Monastrol; Structure based virtual screening; Urease inhibitors

Indexed keywords

ACETOHYDROXAMIC ACIDS; BIOLOGICAL STRUCTURES; COMPUTER-BASED METHODS; DIHYDROPYRIMIDINES; MONASTROL; UREASE INHIBITORS; VIRTUAL SCREENING; X-RAY CRYSTALLOGRAPHIC STRUCTURES;

BACTERIOLOGY; DATABASE SYSTEMS; DOCKING; LIGANDS;

LEAD COMPOUNDS;

MONASTROL; THIOUREA; UREASE;

ARTICLE; BIGINELLI REACTION; COMPUTER MODEL; COMPUTER PROGRAM; DATA BASE; DRUG SCREENING; ENZYME INHIBITION; IN VITRO STUDY; MOLECULAR DOCKING; PRIORITY JOURNAL;

BACILLUS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HYDROXAMIC ACIDS; KINESIN; LIGANDS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PYRIMIDINES; THIONES; UREASE;

RUMEX; SPOROSARCINA PASTEURII;

EID: 84878224097     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2013.04.006     Document Type: Article

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