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10.4103/japtr.JAPTR_88_21 http://scihub22266oqcxt.onion/10.4103/japtr.JAPTR_88_21 34159141!8177144!34159141     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=34159141&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215       J+Adv+Pharm+Technol+Res 2021 ; 12 (2): 120-126 Nephropedia Template TP {{tp|p=34159141|t=2021. Structure-based virtual screening of bioactive compounds from Indonesian medical plants against severe acute respiratory syndrome coronavirus-2 |pdf=|usr=}}{{34159141}} gab.com Text Structure-based virtual screening of bioactive compounds from Indonesian medical plants against severe acute respiratory syndrome coronavirus-2 JO: J Adv Pharm Technol Res http://www.kidney.de/pget.php?&tw=1&pmid=34159141 #FOAvip Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a virus that causes the infectious disease coronavirus disease-2019. Currently, there is no effective drug for the prevention and treatment of this virus. This study aimed to identify secondary metabolites that potentially inhibit the key proteins of SARS-CoV-2. This was an in silico molecular docking study of several secondary metabolites of Indonesian herbal plant compounds and other metabolites with antiviral testing history. Virtual screening using AutoDock Vina of 216 Lipinski rule-compliant plant metabolites was performed on 3C-like protease (3CL(pro)), RNA-dependent RNA polymerase (RdRp), and spike glycoprotein. Ligand preparation was performed using JChem and Schrodinger's software, and virtual protein elucidation was performed using AutoDockTools version 1.5.6. Virtual screening identified several RdRp, spike, and 3CL(pro) inhibitors. Justicidin D had binding affinities of -8.7, -8.1, and -7.6 kcal mol(-1) on RdRp, 3CL(pro), and spike, respectively. 10-methoxycamptothecin had binding affinities of -8.5 and -8.2 kcal mol(-1) on RdRp and spike, respectively. Inoxanthone had binding affinities of -8.3 and -8.1 kcal mol(-1) on RdRp and spike, respectively, while binding affinities of caribine were -9.0 and -7.5 mol(-1) on 3CL(pro) and spike, respectively. Secondary metabolites of compounds from several plants were identified as potential agents for SARS-CoV-2 therapy. Twit Text FOAVip Structure-based virtual screening of bioactive compounds from Indonesian medical plants against severe acute respiratory syndrome coronavirus-2 ????J Adv Pharm Technol Res http://www.kidney.de/pget.php?&tw=1&pmid=34159141 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34159141 #FOAvip English Wikipedia <ref>{{Cite pmid|34159141}}</ref> Structure-based virtual screening of bioactive compounds from Indonesian medical plants against severe acute respiratory syndrome coronavirus-2 #MMPMID34159141 Gani MA; Nurhan AD; Maulana S; Siswodihardjo S; Shinta DW; Khotib J J Adv Pharm Technol Res 2021[Apr]; 12 (2): 120-126 PMID34159141show ga Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is a virus that causes the infectious disease coronavirus disease-2019. Currently, there is no effective drug for the prevention and treatment of this virus. This study aimed to identify secondary metabolites that potentially inhibit the key proteins of SARS-CoV-2. This was an in silico molecular docking study of several secondary metabolites of Indonesian herbal plant compounds and other metabolites with antiviral testing history. Virtual screening using AutoDock Vina of 216 Lipinski rule-compliant plant metabolites was performed on 3C-like protease (3CL(pro)), RNA-dependent RNA polymerase (RdRp), and spike glycoprotein. Ligand preparation was performed using JChem and Schrodinger's software, and virtual protein elucidation was performed using AutoDockTools version 1.5.6. Virtual screening identified several RdRp, spike, and 3CL(pro) inhibitors. Justicidin D had binding affinities of -8.7, -8.1, and -7.6 kcal mol(-1) on RdRp, 3CL(pro), and spike, respectively. 10-methoxycamptothecin had binding affinities of -8.5 and -8.2 kcal mol(-1) on RdRp and spike, respectively. Inoxanthone had binding affinities of -8.3 and -8.1 kcal mol(-1) on RdRp and spike, respectively, while binding affinities of caribine were -9.0 and -7.5 mol(-1) on 3CL(pro) and spike, respectively. Secondary metabolites of compounds from several plants were identified as potential agents for SARS-CoV-2 therapy. ?Structure-based virtual screening of bioactive compounds from Indonesi(epmc).pdf DeepDyve Pubget Overpricing