Synthesis, anticancer, molecular docking and QSAR studies of benzoylhydrazone
نویسندگان
چکیده
منابع مشابه
A comparative QSAR analysis, molecular docking and PLIF studies of some N-arylphenyl-2,2-dichloroacetamide analogues as anticancer agents
Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inner mitochondrial membrane potential to normal levels, inhibit tumor growth and reduce proliferati...
متن کاملA comparative QSAR analysis, molecular docking and PLIF studies of some N-arylphenyl-2,2-dichloroacetamide analogues as anticancer agents
Dichloroacetate (DCA) is a simple and small anticancer drug that arouses the activity of the enzyme pyruvate dehydrogenase (PDH) through inhibition of the enzyme pyruvate dehydrogenase kinases (PDK1-4). DCA can selectively promote mitochondria-regulated apoptosis, depolarizing the hyperpolarized inner mitochondrial membrane potential to normal levels, inhibit tumor growth and reduce proliferati...
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A set of Xanthohumol derivatives were selected and molecular docking studies of these compounds on thioredoxin reductase were conducted. Based on new structural patterns using in silico-screening study, new potent lead compounds were designed. The results due to validated docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, Val44 and Gly132 are the main a...
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ژورنال
عنوان ژورنال: Journal of Saudi Chemical Society
سال: 2019
ISSN: 1319-6103
DOI: 10.1016/j.jscs.2019.07.007