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.

10.1080/07391102.2020.1852117 http://scihub22266oqcxt.onion/10.1080/07391102.2020.1852117 33289456!7738213!33289456     free     free     free       J+Biomol+Struct+Dyn 2022 ; 40 (9): 3928-3948 Nephropedia Template TP {{tp|p=33289456|t=2022. Virtual screening of phytoconstituents from miracle herb nigella sativa targeting nucleocapsid protein and papain-like protease of SARS-CoV-2 for COVID-19 treatment |pdf=|usr=}}{{33289456}} gab.com Text Virtual screening of phytoconstituents from miracle herb nigella sativa targeting nucleocapsid protein and papain-like protease of SARS-CoV-2 for COVID-19 treatment JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33289456 #FOAvip Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel etiological agent of coronavirus disease 2019 (COVID-19). Nigella sativa, commonly known as black seed or black cumin, has been a historical and traditional plant since thousands of years. Based on their therapeutic efficacy, the chief components of terpenoids and flavonoids were selected from N. sativa seeds and seed oil. This study was designed to check the antiviral efficacy of N. sativa main phytoconstituents against five potential targets of SARS-CoV-2 using in silico structure-based virtual screening approach. Out of twenty five phytocomponents, ten components showed best binding affinity against two viral proteins viz. N-terminal RNA binding domain (NRBD; PDB ID: 6M3M) of nucleocapsid protein and papain-like protease (PL-(PRO); PDB ID: 6W9C) of SARS-CoV-2 using AutoDock 4.2.6, AutoDock Vina and iGEMDOCK. PASS analyses of all ten phytocomponents using Lipinski's Rule of five showed promising results. Further, druglikeness and toxicity assessment using OSIRIS Data Warrior v5.2.1 software exhibited the feasibility of phytocomponents as drug candidates with no predicted toxicity. Molecular dynamics simulation study of NRBD of SARS-CoV-2 nucleocapsid protein-alpha-spinasterol complex and PL-(PRO)-cycloeucalenol complex displayed strong stability at 300 K. Both these complexes exhibited constant root mean square deviation (RMSDs) of protein side chains and Calpha atoms throughout the simulation run time. Interestingly, PL-(PRO) and NRBD are key proteins in viral replication, host cell immune evasion and viral assembly. Thus, NRBD and PL-(PRO) have the potential to serve as therapeutic targets for N. sativa phytoconstituents in drug discovery process against COVID-19. Twit Text FOAVip Virtual screening of phytoconstituents from miracle herb nigella sativa targeting nucleocapsid protein and papain-like protease of SARS-CoV-2 for COVID-19 treatment ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=33289456 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33289456 #FOAvip English Wikipedia <ref>{{Cite pmid|33289456}}</ref> Virtual screening of phytoconstituents from miracle herb nigella sativa targeting nucleocapsid protein and papain-like protease of SARS-CoV-2 for COVID-19 treatment #MMPMID33289456 Siddiqui S; Upadhyay S; Ahmad R; Gupta A; Srivastava A; Trivedi A; Husain I; Ahmad B; Ahamed M; Khan MA J Biomol Struct Dyn 2022[Jun]; 40 (9): 3928-3948 PMID33289456show ga Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel etiological agent of coronavirus disease 2019 (COVID-19). Nigella sativa, commonly known as black seed or black cumin, has been a historical and traditional plant since thousands of years. Based on their therapeutic efficacy, the chief components of terpenoids and flavonoids were selected from N. sativa seeds and seed oil. This study was designed to check the antiviral efficacy of N. sativa main phytoconstituents against five potential targets of SARS-CoV-2 using in silico structure-based virtual screening approach. Out of twenty five phytocomponents, ten components showed best binding affinity against two viral proteins viz. N-terminal RNA binding domain (NRBD; PDB ID: 6M3M) of nucleocapsid protein and papain-like protease (PL-(PRO); PDB ID: 6W9C) of SARS-CoV-2 using AutoDock 4.2.6, AutoDock Vina and iGEMDOCK. PASS analyses of all ten phytocomponents using Lipinski's Rule of five showed promising results. Further, druglikeness and toxicity assessment using OSIRIS Data Warrior v5.2.1 software exhibited the feasibility of phytocomponents as drug candidates with no predicted toxicity. Molecular dynamics simulation study of NRBD of SARS-CoV-2 nucleocapsid protein-alpha-spinasterol complex and PL-(PRO)-cycloeucalenol complex displayed strong stability at 300 K. Both these complexes exhibited constant root mean square deviation (RMSDs) of protein side chains and Calpha atoms throughout the simulation run time. Interestingly, PL-(PRO) and NRBD are key proteins in viral replication, host cell immune evasion and viral assembly. Thus, NRBD and PL-(PRO) have the potential to serve as therapeutic targets for N. sativa phytoconstituents in drug discovery process against COVID-19. |*Antiviral Agents/chemistry[MESH] |*Coronavirus Nucleocapsid Proteins/antagonists & inhibitors[MESH] |*Coronavirus Papain-Like Proteases/antagonists & inhibitors[MESH] |*Nigella sativa/chemistry[MESH] |*SARS-CoV-2/drug effects[MESH] |COVID-19 Drug Treatment[MESH] |Humans[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Phosphoproteins/antagonists & inhibitors[MESH]Virtual screening of phytoconstituents from miracle herb nigella sativ(epmc).pdf DeepDyve Pubget Overpricing