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10.1039/d0ra10529e http://scihub22266oqcxt.onion/10.1039/d0ra10529e 35424441!8694486!35424441     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=35424441&cmd=llinks): Failed to open stream: HTTP request failed! 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Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19 |pdf=|usr=}}{{35424441}} gab.com Text Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19 JO: RSC Adv http://www.kidney.de/pget.php?&tw=1&pmid=35424441 #FOAvip The present study aimed to investigate the binding affinity of andrographolide and its derivative i.e., 14-deoxy-11,12-didehydroandrographolide with targets related to COVID-19 and their probable role in regulating multiple pathways in COVID-19 infection. SMILES of both compounds were retrieved from the PubChem database and predicted for probably regulated proteins. The predicted proteins were queried in STRING to evaluate the protein-protein interaction, and modulated pathways were identified concerning the KEGG database. Drug-likeness and ADMET profile of each compound was evaluated using MolSoft and admetSAR 2.0, respectively. Molecular docking was carried using Autodock 4.0. Andrographolide and its derivative were predicted to have a high binding affinity with papain-like protease, coronavirus main proteinase, and spike protein. Molecular dynamics simulation studies were performed for each complex which suggested the strong binding affinities of both compounds with targets. Network pharmacology analysis revealed that both compounds modulated the immune system by regulating chemokine signaling, Rap1 signaling, cytokine-cytokine receptor interaction, MAPK signaling, NF-kappa B signaling, RAS signaling, p53 signaling, HIF-1 signaling, and natural killer cell-mediated cytotoxicity. The study suggests strong interaction of andrographolide and 14-deoxy-11,12-didehydroandrographolide against COVID-19 associated target proteins and exhibited different immunoregulatory pathways. Twit Text FOAVip Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19 ????RSC Adv http://www.kidney.de/pget.php?&tw=1&pmid=35424441 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=35424441 #FOAvip English Wikipedia <ref>{{Cite pmid|35424441}}</ref> Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19 #MMPMID35424441 Khanal P; Dey YN; Patil R; Chikhale R; Wanjari MM; Gurav SS; Patil BM; Srivastava B; Gaidhani SN RSC Adv 2021[Jan]; 11 (9): 5065-5079 PMID35424441show ga The present study aimed to investigate the binding affinity of andrographolide and its derivative i.e., 14-deoxy-11,12-didehydroandrographolide with targets related to COVID-19 and their probable role in regulating multiple pathways in COVID-19 infection. SMILES of both compounds were retrieved from the PubChem database and predicted for probably regulated proteins. The predicted proteins were queried in STRING to evaluate the protein-protein interaction, and modulated pathways were identified concerning the KEGG database. Drug-likeness and ADMET profile of each compound was evaluated using MolSoft and admetSAR 2.0, respectively. Molecular docking was carried using Autodock 4.0. Andrographolide and its derivative were predicted to have a high binding affinity with papain-like protease, coronavirus main proteinase, and spike protein. Molecular dynamics simulation studies were performed for each complex which suggested the strong binding affinities of both compounds with targets. Network pharmacology analysis revealed that both compounds modulated the immune system by regulating chemokine signaling, Rap1 signaling, cytokine-cytokine receptor interaction, MAPK signaling, NF-kappa B signaling, RAS signaling, p53 signaling, HIF-1 signaling, and natural killer cell-mediated cytotoxicity. The study suggests strong interaction of andrographolide and 14-deoxy-11,12-didehydroandrographolide against COVID-19 associated target proteins and exhibited different immunoregulatory pathways. äCombination of system biology to probe the anti-viral activity of andr(epmc).pdf DeepDyve Pubget Overpricing