Use my Search Websuite to scan PubMed, PMCentral, Journal Hosts and Journal Archives, FullText. Kick-your-searchterm to multiple Engines kick-your-query now !>

A dictionary by aggregated review articles of nephrology, medicine and the life sciences Your one-stop-run pathway from word to the immediate pdf of peer-reviewed on-topic knowledge.

10.3390/molecules26072082 http://scihub22266oqcxt.onion/10.3390/molecules26072082 33916461!8038614!33916461     free     free     free Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 235.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 269.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Molecules 2021 ; 26 (7): ä Nephropedia Template TP {{tp|p=33916461|t=2021. In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M(pro)) Inhibitors |pdf=|usr=}}{{33916461}} gab.com Text In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M(pro)) Inhibitors JO: Molecules http://www.kidney.de/pget.php?&tw=1&pmid=33916461 #FOAvip Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent for the COVID-19 pandemic, which generated more than 1.82 million deaths in 2020 alone, in addition to 83.8 million infections. Currently, there is no antiviral medication to treat COVID-19. In the search for drug leads, marine-derived metabolites are reported here as prospective SARS-CoV-2 inhibitors. Two hundred and twenty-seven terpene natural products isolated from the biodiverse Red-Sea ecosystem were screened for inhibitor activity against the SARS-CoV-2 main protease (M(pro)) using molecular docking and molecular dynamics (MD) simulations combined with molecular mechanics/generalized Born surface area binding energy calculations. On the basis of in silico analyses, six terpenes demonstrated high potency as M(pro) inhibitors with DeltaG(binding) </= -40.0 kcal/mol. The stability and binding affinity of the most potent metabolite, erylosides B, were compared to the human immunodeficiency virus protease inhibitor, lopinavir. Erylosides B showed greater binding affinity towards SARS-CoV-2 M(pro) than lopinavir over 100 ns with DeltaG(binding) values of -51.9 vs. -33.6 kcal/mol, respectively. Protein-protein interactions indicate that erylosides B biochemical signaling shares gene components that mediate severe acute respiratory syndrome diseases, including the cytokine- and immune-signaling components BCL2L1, IL2, and PRKC. Pathway enrichment analysis and Boolean network modeling were performed towards a deep dissection and mining of the erylosides B target-function interactions. The current study identifies erylosides B as a promising anti-COVID-19 drug lead that warrants further in vitro and in vivo testing. Twit Text FOAVip In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M(pro)) Inhibitors ????Molecules http://www.kidney.de/pget.php?&tw=1&pmid=33916461 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33916461 #FOAvip English Wikipedia <ref>{{Cite pmid|33916461}}</ref> In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M(pro)) Inhibitors #MMPMID33916461 Ibrahim MAA; Abdelrahman AHM; Mohamed TA; Atia MAM; Al-Hammady MAM; Abdeljawaad KAA; Elkady EM; Moustafa MF; Alrumaihi F; Allemailem KS; El-Seedi HR; Pare PW; Efferth T; Hegazy MF Molecules 2021[Apr]; 26 (7): ä PMID33916461show ga Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent for the COVID-19 pandemic, which generated more than 1.82 million deaths in 2020 alone, in addition to 83.8 million infections. Currently, there is no antiviral medication to treat COVID-19. In the search for drug leads, marine-derived metabolites are reported here as prospective SARS-CoV-2 inhibitors. Two hundred and twenty-seven terpene natural products isolated from the biodiverse Red-Sea ecosystem were screened for inhibitor activity against the SARS-CoV-2 main protease (M(pro)) using molecular docking and molecular dynamics (MD) simulations combined with molecular mechanics/generalized Born surface area binding energy calculations. On the basis of in silico analyses, six terpenes demonstrated high potency as M(pro) inhibitors with DeltaG(binding) |Animals[MESH] |Binding Sites[MESH] |COVID-19 Drug Treatment[MESH] |COVID-19/virology[MESH] |Humans[MESH] |Hydrogen Bonding[MESH] |Invertebrates/*chemistry/metabolism[MESH] |Lopinavir/chemistry/metabolism[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Protease Inhibitors/chemistry/isolation & purification/therapeutic use[MESH] |Protein Binding[MESH] |SARS-CoV-2/isolation & purification/*metabolism[MESH] |Terpenes/*chemistry/isolation & purification/metabolism/therapeutic use[MESH] |Thermodynamics[MESH]In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2(epmc).pdf DeepDyve Pubget Overpricing