نتایج جستجو برای: pbsa
تعداد نتایج: 304 فیلتر نتایج به سال:
BACKGROUND There is little information concerning the costs of psoriasis and patients' quality of life (QoL) in Germany. OBJECTIVE To obtain data on the annual costs and QoL(to follow in a further publication) of patients with moderate to severe plaque psoriasis. METHODS Between October 2003 and February 2004, six office-based dermatologists and eight dermatology outpatient departments retr...
We have performed molecular dynamics (MD) simulations, with particle-mesh Ewald, explicit waters, and counterions, and binding specificity analyses using combined molecular mechanics and continuum solvent (MM-PBSA) on the bovine immunodeficiency virus (BIV) Tat peptide-TAR RNA complex. The solution structure for the complex was solved independently by Patel and co-workers and Puglisi and co-wor...
New bis-imidazole derivatives have been synthesized and their antifungal and antimycobacterial activity was determined. Almost all compounds exhibited a moderate to good activity against two clinical isolates of Candida albicans 3038 and Candida glabrata 123. The same compounds showed an interesting killing activity against Mycobacterium tuberculosis H(37)Rv reference strain. Docking procedures...
Heme oxygenase (HO) catalyzes the opening of the heme ring with the release of iron in both plants and animals. In cyanobacteria, red algae, and cryptophyceae, HO is a key enzyme in the synthesis of the chromophoric part of the photosynthetic antennae. In an attempt to study the regulation of this key metabolic step, we cloned and sequenced the pbsA gene encoding this enzyme from the red alga R...
The epidermal growth factor receptor (EGFR) is a major target for drugs in treating lung carcinoma. Mutations in the tyrosine kinase domain of EGFR commonly arise in human cancers, which can cause drug sensitivity or resistance by influencing the relative strengths of drug and ATP-binding. In this study, we investigate the binding affinities of two tyrosine kinase inhibitors--AEE788 and Gefitin...
Targeting protein kinases is a common approach for cancer treatment. In this study, series of novel terephthalic and isophthalic derivatives were constructed as potential type 2 kinase inhibitors adapting pharmacophore features approved anticancer drugs class. Inhibitory activity designed structures was studied in silico against various cancer-related compared with that known inhibitors. Obtain...
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