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The design of potent HIV-1 integrase inhibitors by a combined approach of structure-based virtual screening and molecular dynamics simulation
(Taylor & Francis Ltd, 2018)
Bu araştırmanın amacı, AIDS olarak bilinen insan bağışıklık sistemine etki eden, duraksamayan ve depresif bir hastalığa neden olan HIV-1'in tedavisi için potansiyel inhibitörleri elde etmektir. HIV-1 integraz inhibitörleri, ...
The neural gamma(2)alpha(1)beta(2)alpha(1)beta(2) gamma amino butyric acid ion channel receptor: structural analysis of the effects of the ivermectin molecule and disulfide bridges
(Springer, 2018)
While similar to 30% of the human genome encodes membrane proteins only a handful of structures of membrane proteins have been resolved to high resolution. Here we studied the structure of a member of the Cys-loop ligand ...
Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening molecular docking and dynamics simulation studies
(Elsevier Science, 2018)
Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of alpha-tubulin making it a viable target of anticancer drug design and development. The crystal ...
Maximally random discrete-spin systems with symmetric and asymmetric interactions and maximally degenerate ordering
(Amer Physical Soc., 2018)
Discrete-spin systems with maximally random nearest-neighbor interactions that can be symmetric or asymmetric ferromagnetic or antiferromagnetic including off-diagonal disorder are studied for the number of states q = 34 ...
Synthesis Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors
(MDPI, 2018)
Cyclooxygenase enzymes play a vital role in inflammatory pathways in the human body. Apart from their relation with inflammation the additional involvement of COX-2 enzyme with cancer activity was recently discovered. In ...
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening ADMET prediction and molecular dynamics simulation assay
(Taylor & Francis Inc, 2018)
Histone deacetylases (HDACs) have gained increased attention as targets for anticancer drug design and development. HDAC inhibitors have proven to be effective for reversing the malignant phenotype in HDAC-dependent cancer ...
Psychosocial interventions to improve outcomes among dialysis patients
(Wiley, 2018)
Patients with end-stage renal disease (ESRD) report high levels of emotional problems and poor compliance with treatment and quality of life. Nevertheless there are not many studies which examine the effectiveness of ...
Biomarkers of Secondhand Smoke Exposure in Waterpipe Tobacco Venue Employees in Istanbul Moscow and Cairo
(Oxford University Press, 2018)
Background: Most smoke-free legislation to reduce secondhand smoke (SHS) exposure exempts waterpipe (hookah) smoking venues. Few studies have examined SHS exposure in waterpipe venues and their employees. Methods: We ...
Attachment anxiety benefits from security priming: Evidence from working memory performance
(Public Library Science, 2018)
The present study investigates the relationship between the attachment dimensions (anxious vs. avoidance) and the cognitive performance of individuals specifically whether the attachment dimensions would predict the working ...
Synthesis anticancer activity and molecular modeling of etodolac-thioether derivatives as potent methionine aminopeptidase (type II) inhibitors
(Wiley, 2018)
A series of (RS)-1-{[5-(substituted)sulfanyl-4-substituted-4H-124-triazole-3-yl]methyl}-18-diethyl-1349-tetrahydropyrano[34-b]indoles (5a-v) were designed and synthesized using a five-step synthetic protocol that involves ...