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10.7554/eLife.65543 http://scihub22266oqcxt.onion/10.7554/eLife.65543 34340747!8331181!34340747     free     free     free Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Elife 2021 ; 10 (ä): ä Nephropedia Template TP {{tp|p=34340747|t=2021. NICEdrug ch, a workflow for rational drug design and systems-level analysis of drug metabolism |pdf=|usr=}}{{34340747}} gab.com Text NICEdrug ch, a workflow for rational drug design and systems-level analysis of drug metabolism JO: Elife http://www.kidney.de/pget.php?&tw=1&pmid=34340747 #FOAvip The discovery of a drug requires over a decade of intensive research and financial investments - and still has a high risk of failure. To reduce this burden, we developed the NICEdrug.ch resource, which incorporates 250,000 bioactive molecules, and studied their enzymatic metabolic targets, fate, and toxicity. NICEdrug.ch includes a unique fingerprint that identifies reactive similarities between drug-drug and drug-metabolite pairs. We validated the application, scope, and performance of NICEdrug.ch over similar methods in the field on golden standard datasets describing drugs and metabolites sharing reactivity, drug toxicities, and drug targets. We use NICEdrug.ch to evaluate inhibition and toxicity by the anticancer drug 5-fluorouracil, and suggest avenues to alleviate its side effects. We propose shikimate 3-phosphate for targeting liver-stage malaria with minimal impact on the human host cell. Finally, NICEdrug.ch suggests over 1300 candidate drugs and food molecules to target COVID-19 and explains their inhibitory mechanism for further experimental screening. The NICEdrug.ch database is accessible online to systematically identify the reactivity of small molecules and druggable enzymes with practical applications in lead discovery and drug repurposing. Twit Text FOAVip NICEdrug ch, a workflow for rational drug design and systems-level analysis of drug metabolism ????Elife http://www.kidney.de/pget.php?&tw=1&pmid=34340747 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34340747 #FOAvip English Wikipedia <ref>{{Cite pmid|34340747}}</ref> NICEdrug ch, a workflow for rational drug design and systems-level analysis of drug metabolism #MMPMID34340747 MohammadiPeyhani H; Chiappino-Pepe A; Haddadi K; Hafner J; Hadadi N; Hatzimanikatis V Elife 2021[Aug]; 10 (ä): ä PMID34340747show ga The discovery of a drug requires over a decade of intensive research and financial investments - and still has a high risk of failure. To reduce this burden, we developed the NICEdrug.ch resource, which incorporates 250,000 bioactive molecules, and studied their enzymatic metabolic targets, fate, and toxicity. NICEdrug.ch includes a unique fingerprint that identifies reactive similarities between drug-drug and drug-metabolite pairs. We validated the application, scope, and performance of NICEdrug.ch over similar methods in the field on golden standard datasets describing drugs and metabolites sharing reactivity, drug toxicities, and drug targets. We use NICEdrug.ch to evaluate inhibition and toxicity by the anticancer drug 5-fluorouracil, and suggest avenues to alleviate its side effects. We propose shikimate 3-phosphate for targeting liver-stage malaria with minimal impact on the human host cell. Finally, NICEdrug.ch suggests over 1300 candidate drugs and food molecules to target COVID-19 and explains their inhibitory mechanism for further experimental screening. The NICEdrug.ch database is accessible online to systematically identify the reactivity of small molecules and druggable enzymes with practical applications in lead discovery and drug repurposing. |*Drug Design[MESH] |*Drug Repositioning[MESH] |Animals[MESH] |Antimetabolites, Antineoplastic/chemistry/metabolism[MESH] |Antiviral Agents/chemistry/pharmacology[MESH] |COVID-19 Drug Treatment[MESH] |Databases, Pharmaceutical[MESH] |Drug Discovery/*methods[MESH] |Drug-Related Side Effects and Adverse Reactions/etiology/metabolism[MESH] |Fluorouracil/chemistry/metabolism[MESH] |Humans[MESH] |Pharmaceutical Preparations/chemistry/*metabolism[MESH]NICEdrug ch, a workflow for rational drug design and systems-level ana(epmc).pdf DeepDyve Pubget Overpricing