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10.1111/cts.13007 http://scihub22266oqcxt.onion/10.1111/cts.13007 33606912!8014887!33606912     free     free     free Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 219.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Clin+Transl+Sci 2021 ; 14 (3): 1123-1132 Nephropedia Template TP {{tp|p=33606912|t=2021. Virtual screening FDA approved drugs against multiple targets of SARS-CoV-2 |pdf=|usr=}}{{33606912}} gab.com Text Virtual screening FDA approved drugs against multiple targets of SARS-CoV-2 JO: Clin Transl Sci http://www.kidney.de/pget.php?&tw=1&pmid=33606912 #FOAvip The outbreak of the novel coronavirus severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), the causative agent of coronavirus disease 2019 (COVID-19) respiratory disease, led to a global pandemic with high morbidity and mortality. Despite frenzied efforts in therapeutic development, there are currently no effective drugs for treatment, nor are there vaccines for its prevention. Drug repurposing, representing as an effective drug discovery strategy from existing drugs, is one of the most practical treatment options against the outbreak. In this study, we present a novel strategy for in silico molecular modeling screening for potential drugs that may interact with multiple main proteins of SARS-CoV-2. Targeting multiple viral proteins is a novel drug discovery concept in that it enables the potential drugs to act on different stages of the virus' life cycle, thereby potentially maximizing the drug potency. We screened 2631 US Food and Drug Administration (FDA)-approved small molecules against 4 key proteins of SARS-CoV-2 that are known as attractive targets for antiviral drug development. In total, we identified 29 drugs that could actively interact with 2 or more target proteins, with 5 drugs (avapritinib, bictegravir, ziprasidone, capmatinib, and pexidartinib) being common candidates for all 4 key host proteins and 3 of them possessing the desirable molecular properties. By overlaying docked positions of drug candidates onto individual host proteins, it has been further confirmed that the binding site conformations are conserved. The drugs identified in our screening provide potential guidance for experimental confirmation, such as in vitro molecular assays and in vivo animal testing, as well as incorporation into ongoing clinical studies. Twit Text FOAVip Virtual screening FDA approved drugs against multiple targets of SARS-CoV-2 ????Clin Transl Sci http://www.kidney.de/pget.php?&tw=1&pmid=33606912 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33606912 #FOAvip English Wikipedia <ref>{{Cite pmid|33606912}}</ref> Virtual screening FDA approved drugs against multiple targets of SARS-CoV-2 #MMPMID33606912 Liang H; Zhao L; Gong X; Hu M; Wang H Clin Transl Sci 2021[May]; 14 (3): 1123-1132 PMID33606912show ga The outbreak of the novel coronavirus severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), the causative agent of coronavirus disease 2019 (COVID-19) respiratory disease, led to a global pandemic with high morbidity and mortality. Despite frenzied efforts in therapeutic development, there are currently no effective drugs for treatment, nor are there vaccines for its prevention. Drug repurposing, representing as an effective drug discovery strategy from existing drugs, is one of the most practical treatment options against the outbreak. In this study, we present a novel strategy for in silico molecular modeling screening for potential drugs that may interact with multiple main proteins of SARS-CoV-2. Targeting multiple viral proteins is a novel drug discovery concept in that it enables the potential drugs to act on different stages of the virus' life cycle, thereby potentially maximizing the drug potency. We screened 2631 US Food and Drug Administration (FDA)-approved small molecules against 4 key proteins of SARS-CoV-2 that are known as attractive targets for antiviral drug development. In total, we identified 29 drugs that could actively interact with 2 or more target proteins, with 5 drugs (avapritinib, bictegravir, ziprasidone, capmatinib, and pexidartinib) being common candidates for all 4 key host proteins and 3 of them possessing the desirable molecular properties. By overlaying docked positions of drug candidates onto individual host proteins, it has been further confirmed that the binding site conformations are conserved. The drugs identified in our screening provide potential guidance for experimental confirmation, such as in vitro molecular assays and in vivo animal testing, as well as incorporation into ongoing clinical studies. |*COVID-19 Drug Treatment[MESH] |*Drug Repositioning[MESH] |Drug Approval[MESH] |Drug Discovery[MESH] |Drug Evaluation, Preclinical/*methods[MESH] |Humans[MESH] |Hydrogen-Ion Concentration[MESH] |Models, Molecular[MESH] |Molecular Docking Simulation[MESH]Virtual screening FDA approved drugs against multiple targets of SARS-(epmc).pdf DeepDyve Pubget Overpricing