نتایج جستجو برای: docking
تعداد نتایج: 21035 فیلتر نتایج به سال:
background: luxi is a component of the quorum sensing signaling pathway in vibrio fischeri responsible for the inducer synthesis that is essential for bioluminescence. methods: homology modeling of luxi was carried out using phyre2 and refined with the galaxyweb server. five models were generated and evaluated by errat, anolea, qmean6, and procheck. results: five refined models were generated b...
Background and purpose: Leishmaniasis is one of the most important infectious diseases caused by different species of the Leishmania, which is a public health problem worldwide. So far, no effective vaccine is introduced for this disease and drug therapy is associated with many side effects. Therefore, this study was designed to identify novel FDA-approved compounds with anti-leishmanial activ...
in today’s competitive word, it is so important to offer a new way in the cycle of production and supply by which the maximum efficiency will be achieved. the problem of applying cross-docking operations in logistics and supply chain network design, as a new and applicable approach, has attracted much attention in both academic and industrial areas. the matter making this strategy be highly wel...
monoamine oxidase (ec, 1.4.3.4) or amine oxidoreductase catalyzes the oxidative deamination of biogenic amines. abnormal action of the monoamine oxidase b has been associated with neurological dysfunctions including parkinson´s disorder. monoamine oxidase b inhibitors divulged that these agents were effective in the therapeutic management of parkinson's disease. understanding the interaction of...
cross docking is a logistic strategy that plays the role of a middle knot in distribution network in the provision process. in logistic part, inventory holding is considered as an important matter in managing costs. not only cross docking reduces the inventory holding cost, but it also reduces the cost of collecting received orders, transportation and duration of sending. the products, which ar...
in this paper we address the vrpcd, in which a set of homogeneous vehicles are used to transport products from the suppliers to customers via a cross-dock. the products can be consolidated at the cross-dock but cannot be stored for very long as the cross-dock does not have long-term inventory-holding capabilities. the objective of the vrpcd is to minimize the total traveled distance while respe...
Computational docking of ligands to protein structures is a key step in identifying potential drug candidates. The docking problem has been formulated into a ligand-protein binding energy optimization problem. Dozens of programs have been developed for molecular docking [1-9]. In any docking scheme, two requirements must be balanced: to get better precision with lower binding energy and to mini...
objective(s): alzheimer’s disease (ad) as progressive cognitive decline and the most common form of dementia is due to degeneration of the cholinergic neurons in the brain. therefore, administration of the acetylcholinesterase (ache) inhibitors such as donepezil is the first choice for treatment of the ad. in the present study, we focused on the synthesis and anti-cholinesterase evaluation of n...
interference with microtubule polymerization results in cell cycle arrest leading to cell death. colchicine is a well-known microtubule polymerization inhibitor which does so by binding to a specific site on tubulin. a set of 3',4'-bis (substituted phenyl)-4'h-spiro[indene-2,5'-isoxazol]-1(3h)-one derivatives with known antiproliferative activities were evaluated for their t...
background hymenodictyon excelsum is a medicinal plant traditionally used for tumor treatment as it contains phytochemicals of anthraquinone and coumarin class. objectives the aim of the present study was to unfold the therapeutic value of selected phytocompounds of hymenodictyon excelsum in prostate cancer. materials and methods eight phytochemicals were selected based on the literature search...
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