In silico molecular modeling of neuraminidase enzyme H1N1 avian influenza virus and docking with zanamivir ligands
Journal Title: Asian Pacific Journal of Tropical Disease - Year 2012, Vol 2, Issue 6
Abstract
Objective: Neuraminidase is an enzyme aspartic protease that is essential for the life cycle of H1N1. Methods: Constructed a model of Neuraminidase enzyme the 3D structure as template using with Modeller software. The Neuraminidase enzyme model was predicted and validated by Procheck, What check, Errat, Verify-3D and AutoDock web server for reliability. Results: The Modeller homology-modeling algorithm was demonstrated excellent accuracy in blind predictions. The Neuraminidase enzyme model built with little, 35% identity could be accurate enough to be successfully used in receptor based rational drug design. The closest homologue with the highest sequence identity 100% was selected. Zanamivir drug and analogues were retrieved from PubChem database, as well as subjected to docking interaction with Neuraminidase enzyme used AutoDock programme. Based on the root mean square deviation and lowest binding energy values the best docking orientation was selected. The better lowest binding energy value -6.91 was selected of CID_25209232. Conclusions: This study will be used in broad screening of inhibitors of the protein. However, further implemented experimental and clinical verification is needed to establishment these analogues as drug
Prevalence of autoantibodies among patients presented to Sultan Qaboos University hospital (SQUH)
Objective: The aim of this study was to estimate the prevalence of autoantibodies among patients presented to Sultan Qaboos University Hospital (SQUH).Materials: various clinics in SQUH during the period from Jun 2009 to...
A study of the relationship between infectious diseases and health economics: some evidences from Nepal
Objective: To measure the effectiveness of short term trainings in improving knowledge of health economics and application of economic way of thinking in policy research. Methods: The training focused to strengthen the c...
Bacteriological and parasitological assessment of currencies obtained in selected markets of Metro Manila
Objective: To assess the bacterial and parasitic contamination of coins and paper bills obtained in selected public markets of Metro Manila. Methods: Money collected from the markets was assessed through culture, microsc...
Sonographic-pathologic correlation of complex cystic breast lesions
Objective: To understand the pathologic basis for sonographic features of complex cystic lesions. Methods: From 2 646 female patients underwent breast sonography at King Chulalongkorn Memorial Hospital from January 2005...
Serum interferon-gamma and interleukin-4 in patients with brucellosis before and after treatment
Objective: To evaluate serum levels of interferon-gamma (IFN-γ) and interleukin-4 (IL-4) in patients with brucellosis before and after treatment. Methods: In this cross-sectional study 30 patients (18 males and 12 female...