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Design, Synthesis and In Vitro Cytotoxic Activity of New 6,9-Disubstituted Purine Analogues
(Slovensko Kemijsko Drustvo, 2020)
A series of new 6,9-disubstituted purine analogs with 4-substituted piperazine at C-6 and 4-substituted benzyl at N-9 were designed and synthesized in four steps. All synthesized compounds (7-26) were screened initially ...
Distinctive communication networks in inactive states of beta(2)-adrenergic receptor: Mutual information and entropy transfer analysis
(Wiley, 2020)
Mutual information and entropy transfer analysis employed on two inactive states of human beta-2 adrenergic receptor (beta(2)-AR) unraveled distinct communication pathways. Previously, a so-called "highly" inactive state ...
Homology modeling andin silicodesign of novel and potential dual-acting inhibitors of human histone deacetylases HDAC5 and HDAC9 isozymes
(2020)
Histone deacetylases (HDACs) are a group of enzymes that have prominent and crucial effect on various biological systems, mainly by their suppressive effect on transcription. Searching for inhibitors targeting their ...
Synthesis, Anticancer Activity on Prostate Cancer Cell Lines and Molecular Modeling Studies of Flurbiprofen-Thioether Derivatives as Potential Target of MetAP (Type II)
(Bentham Science PUBL LTD, 2020)
Background: Prostate cancer is still one of the serious causes of mortality and morbidity in men. Despite recent advances in anticancer therapy, there is a still need of novel agents with more efficacy and specificity in ...
Complete density calculations of q-state Potts and clock models: Reentrance of interface densities under symmetry breaking
(Amer Physical Soc, 2020)
All local bond-state densities are calculated for q-state Potts and clock models in three spatial dimensions, d = 3. The calculations are done by an exact renormalization group on a hierarchical lattice, including the ...
Post-synthetically elaborated BODIPY-based porous organic polymers (POPs) for the photochemical detoxification of a sulfur mustard simulant
(American Chemical Society, 2020)
Designing new materials for the effective detoxification of chemical warfare agents (CWAs) is of current interest given the recent use of CWAs. Although halogenated borondipyrromethene derivatives (4,4-difluoro-4-bora-3a ...
Cultural differences in performance on Eriksen's flanker task
(Springer, 2020)
Eriksen's zoom model of attention implies a trade-off between the breadth and resolution of representations of information. Following this perspective, we used Eriksen's flanker task to investigate culture's influence on ...
Frustrated Potts model: Multiplicity eliminates chaos via reentrance
(Amer Physical Soc, 2020)
The frustrated q-state Potts model is solved exactly on a hierarchical lattice, yielding chaos under rescaling, namely, the signature of a spin-glass phase, as previously seen for the Ising (q = 2) model. However, the ...
Evaluation of the COVID-19 Pandemic Intervention Strategies with Hesitant F-AHP
(Hindawi, 2020)
In this study, a hesitant fuzzy AHP method is presented to help decision makers (DMs), especially policymakers, governors, and physicians, evaluate the importance of intervention strategy alternatives applied by various ...
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
(Taylor & Francis, 2020)
Histone deacetylase (HDAC) 10 has been implicated in the pathology of various cancers and neurodegenerative disorders, making the discovery of novel inhibitors of the isoform an important endeavor. However, the unavailability ...