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• W4387449816 abstract "What Is Known and Objective. Novel coronavirus disease (COVID-19) is still ravaging globally since its first discovery in 2019. With the continuous emergence of severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) mutant strains, therapeutic entities are still needed to be discovered. This study was to explore SARS-CoV-2 inhibitors and therapeutic entities for COVID-19. Methods. Based on Lipinski’s rule of 5, a small-scale “old” drug database (clinical drugs being used in Ordos Central Hospital) was established, and in silico screening of Mpro inhibitors was conducted. Binding affinity and interaction as well as structure-affinity relationship were analyzed. Furthermore, molecular dynamic (MD) simulation of the selected drugs was performed to understand the conformational changes in docked complex. In vitro Mpro inhibition tests were performed according to established methods. Finally, literature review of potential “old” drug for the treatment of COVID-19 was conducted. Results and Discussion. The antibiotic minocycline, an inhibitor of bacterial ribosomal RNA, was screened out which showed the highest binding affinity (−9.6 kcal/mol). Beside the hydrogen bond with Cys145 and hydrophobic interactions, minocycline formed a pi-cation with His41, which strongly supported minocycline as a Michael addition acceptor to bind with the catalytic site of Mpro. MD simulation results show that minocycline displayed less conformational changes. The structure-affinity relationship was summarized based on minocycline analogs, and minocycline showed in vitro Mpro inhibitory activity with IC50 of 5 mM. More importantly, the literature review found that minocycline had both in vitro and in vivo broad-spectrum antiviral as well as anti-inflammatory activities, and the levels of a broad spectrum of biological markers during minocycline administration were opposed to those of COVID-19 conditions (both severe and nonsevere). What is New and Conclusion. Minocycline deserves an adjunctive therapeutic option for COVID-19 condition (both severe and nonsevere). This study shed a new light on drug-repurposing strategy for the viral disease." @default.
• W4387449816 created "2023-10-10" @default.
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• W4387449816 date "2023-10-09" @default.
• W4387449816 modified "2023-10-15" @default.
• W4387449816 title "In Silico Screening, In Vitro Mpro Inhibitory, and Adjunctive Therapy Value of Minocycline for the Treatment of COVID-19" @default.
• W4387449816 cites W1018714943 @default.
• W4387449816 cites W1966396713 @default.
• W4387449816 cites W1988869340 @default.
• W4387449816 cites W2016448869 @default.
• W4387449816 cites W2017248106 @default.
• W4387449816 cites W2054076340 @default.
• W4387449816 cites W2064709096 @default.
• W4387449816 cites W2089102439 @default.
• W4387449816 cites W2094765239 @default.
• W4387449816 cites W2105668062 @default.
• W4387449816 cites W2105847002 @default.
• W4387449816 cites W2126945620 @default.
• W4387449816 cites W2132629607 @default.
• W4387449816 cites W2134266729 @default.
• W4387449816 cites W2134967712 @default.
• W4387449816 cites W2138086361 @default.
• W4387449816 cites W2139603860 @default.
• W4387449816 cites W2148946061 @default.
• W4387449816 cites W2149865974 @default.
• W4387449816 cites W2152608034 @default.
• W4387449816 cites W2153594340 @default.
• W4387449816 cites W2157482683 @default.
• W4387449816 cites W2158172497 @default.
• W4387449816 cites W2159746639 @default.
• W4387449816 cites W2161572568 @default.
• W4387449816 cites W2164385322 @default.
• W4387449816 cites W2166673123 @default.
• W4387449816 cites W2168680813 @default.
• W4387449816 cites W2171353131 @default.
• W4387449816 cites W2244208996 @default.
• W4387449816 cites W2260483679 @default.
• W4387449816 cites W241831570 @default.
• W4387449816 cites W2419535666 @default.
• W4387449816 cites W2599565410 @default.
• W4387449816 cites W2601453096 @default.
• W4387449816 cites W2612768906 @default.
• W4387449816 cites W2734280407 @default.
• W4387449816 cites W2768792424 @default.
• W4387449816 cites W2769689735 @default.
• W4387449816 cites W2784412824 @default.
• W4387449816 cites W2984274481 @default.
• W4387449816 cites W3001118548 @default.
• W4387449816 cites W3003631607 @default.
• W4387449816 cites W3005212621 @default.
• W4387449816 cites W3008457270 @default.
• W4387449816 cites W3008649550 @default.
• W4387449816 cites W3008691534 @default.
• W4387449816 cites W3011527465 @default.
• W4387449816 cites W3011605790 @default.
• W4387449816 cites W3013250171 @default.
• W4387449816 cites W3014322091 @default.
• W4387449816 cites W3014330788 @default.
• W4387449816 cites W3015608194 @default.
• W4387449816 cites W3016127017 @default.
• W4387449816 cites W3016525638 @default.
• W4387449816 cites W3017633633 @default.
• W4387449816 cites W3023991776 @default.
• W4387449816 cites W3025162994 @default.
• W4387449816 cites W3028989873 @default.
• W4387449816 cites W3032543466 @default.
• W4387449816 cites W3036280377 @default.
• W4387449816 cites W3043002108 @default.
• W4387449816 cites W3043029189 @default.
• W4387449816 cites W3045665603 @default.
• W4387449816 cites W3080981445 @default.
• W4387449816 cites W3084280404 @default.
• W4387449816 cites W3087470930 @default.
• W4387449816 cites W3092807808 @default.
• W4387449816 cites W3093007514 @default.
• W4387449816 cites W3097703718 @default.
• W4387449816 cites W3101181278 @default.
• W4387449816 cites W3107596380 @default.
• W4387449816 cites W3111225893 @default.
• W4387449816 cites W3112262789 @default.
• W4387449816 cites W3113244564 @default.
• W4387449816 cites W3114991116 @default.
• W4387449816 cites W3144732009 @default.
• W4387449816 cites W3160079714 @default.
• W4387449816 cites W3162617777 @default.
• W4387449816 cites W3165656738 @default.
• W4387449816 cites W3170112469 @default.
• W4387449816 cites W3172155398 @default.
• W4387449816 cites W3183900570 @default.
• W4387449816 cites W3189776437 @default.

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