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10.1080/07391102.2021.1965027 http://scihub22266oqcxt.onion/10.1080/07391102.2021.1965027 34396938!ä!34396938 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 243.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 243.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Biomol+Struct+Dyn 2022 ; 40 (22): 11822-11836 Nephropedia Template TP {{tp|p=34396938|t=2022. Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS-CoV-2 |pdf=|usr=}}{{34396938}} gab.com Text Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS-CoV-2 JO: J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=34396938 #FOAvip Hydroxychloroquine (HCQ) and its derivatives have recently gained tremendous attention as a probable medicinal agent in the COVID-19 outbreak caused by SARS-CoV-2. An efficient agent to act directly in inhibiting the SARS-CoV-2 replication is yet to be achieved. Thus, the goal is to investigate the dynamic nature of HCQ derivatives against SARS-CoV-2 main protease and spike proteins. Molecular docking studies were also performed to understand their binding affinity in silico methods using the vital protein domains and enzymes involved in replicating and multiplying SARS-CoV-2, which were the main protease and spike protein. Molecular Dynamic simulations integrated with MM-PBSA calculations have identified In silico potential inhibitors ZINC05135012 and ZINC59378113 against the main protease with -185.171 +/- 16.388, -130.759 +/- 15.741 kJ/mol respectively, ZINC16638693 and ZINC59378113 against spike protein -141.425 +/- 22.447, -129.149 +/- 11.449 kJ/mol. Identified Hit molecules had demonstrated Drug Likeliness features, PASS values and ADMET predictions with no violations. Communicated by Ramaswamy H. Sarma. Twit Text FOAVip Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS-CoV-2 ????J Biomol Struct Dyn http://www.kidney.de/pget.php?&tw=1&pmid=34396938 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34396938 #FOAvip English Wikipedia <ref>{{Cite pmid|34396938}}</ref> Computational study for identifying promising therapeutic agents of hydroxychloroquine analogues against SARS-CoV-2 #MMPMID34396938 Prasanth DSNBK; Murahari M; Chandramohan V; Guntupalli C; Atmakuri LR J Biomol Struct Dyn 2022[]; 40 (22): 11822-11836 PMID34396938show ga Hydroxychloroquine (HCQ) and its derivatives have recently gained tremendous attention as a probable medicinal agent in the COVID-19 outbreak caused by SARS-CoV-2. An efficient agent to act directly in inhibiting the SARS-CoV-2 replication is yet to be achieved. Thus, the goal is to investigate the dynamic nature of HCQ derivatives against SARS-CoV-2 main protease and spike proteins. Molecular docking studies were also performed to understand their binding affinity in silico methods using the vital protein domains and enzymes involved in replicating and multiplying SARS-CoV-2, which were the main protease and spike protein. Molecular Dynamic simulations integrated with MM-PBSA calculations have identified In silico potential inhibitors ZINC05135012 and ZINC59378113 against the main protease with -185.171 +/- 16.388, -130.759 +/- 15.741 kJ/mol respectively, ZINC16638693 and ZINC59378113 against spike protein -141.425 +/- 22.447, -129.149 +/- 11.449 kJ/mol. Identified Hit molecules had demonstrated Drug Likeliness features, PASS values and ADMET predictions with no violations. Communicated by Ramaswamy H. Sarma. |*COVID-19[MESH] |*SARS-CoV-2[MESH] |COVID-19 Drug Treatment[MESH] |Humans[MESH] |Hydroxychloroquine/pharmacology/therapeutic use[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Protease Inhibitors[MESH]Computational study for identifying promising therapeutic agents of h(epmc).pdf DeepDyve Pubget Overpricing