Objective: Uses molecular docking and pharmacophore modeling methods to examine the antimalarial activity of apigenin (API) on distinct kinds varieties P. falciparum (Pf) receptors. Methods: Using Autodock 4.0.1 ligandscout software, was conducted multiple types Pf receptors, including lactate dehydrogenase (Oxidoreductase), Enoyl-acyl carrier-protein Triose-phosphate (Isomerase), plasmepsin II...

background : it has been suggested that inflammatory state due to obesity can lead to alteration in iron metabolism. women in reproductive age are at higher risk of iron deficiency. in this study, we aimed to evaluate inflammatory status and iron markers in young overweight and obese women. subjects and methods: in this study, 120 young and healthy women with a bmi ≥ 25 kg/m2 were enrolled. bio...

male breast cancer is a rare disease with an increasing trend. due to limited information especially about the genetic basis of the disease in iran and the lower age of its onset, the disease requires more attention. the aim of this study was to screen the male patients with breast cancer for brca mutations as well as tissue markers of estrogen receptor (er), progesterone receptor (pr), human e...

Solution of the structures of ligand-receptor complexes via computational docking is an integral step in many structural modeling efforts as well as in rational drug discovery. A major challenge in ligand-receptor docking is the modeling of both receptor and ligand flexibilities in order to capture receptor conformational changes induced by ligand binding. In the molecular docking suite MedusaD...

This review will focus on the construction, refinement, and validation of G Protein-coupled receptor models for the purpose of structure-based virtual screening. Practical tips and tricks derived from concrete modeling and virtual screening exercises to overcome the problems and pitfalls associated with the different steps of the receptor modeling workflow will be presented. These examples will...

conclusions this study suggests that decrease in levels of tlr3 and tlr7 expression is a mechanism that may enable hcv to evade the host innate immune response. results in both groups, we had 13 males and 12 females with a mean age of 48.7 ± 16. tlr3 (6.23 ± 0.91 vs. 3.89 ± 0.85, p < 0.001) and tlr7 (1.48 ± 0.82 vs-1.33 ± 1.18, p < 0.001) expressions were significantly lower in patients with ch...

introduction: previous studies have indicated that stress levels of glucocorticoid hormones induce impairment of long term memory retrieval, but the underlying mechanisms (genomic or non-genomic) are not clear. to clarify this issue, we investigated the involvement of brain corticosteroid receptors and protein synthesis in the glucocorticoid-induced impairment of memory retrieval. methods: 140 ...

conclusions anesthesiologists need to be aware of dextromethorphan’s clinical pharmacology because recreational abuse of the drug has become increasingly common in adolescents and young adults. case presentation a 30-year-old man with a history of a nasal fracture was scheduled to undergo an elective septorhinoplasty. he reported daily consumption of large quantities (1440 to 1800 mg) of dextro...

A combined modeling approach was used to identify structural factors that underlie the structure-activity relationships (SARs) of full dopamine D₂ receptor agonists and structurally similar inactive compounds. A 3D structural model of the dopamine D₂ receptor was constructed, with the agonist (-)-(R)-2-OH-NPA present in the binding site during the modeling procedure. The 3D model was evaluated ...

background: several studies have suggested that obesity-related inflammation can lead to altered iron metabolism as well as higher rates of iron deficiency in obese than in normal-weight subjects. given that at a population level, premenopausal women are at higher risk of iron deficiency, the purpose of this study was to investigate iron and inflammatory status in young overweight and obese wom...