Computational and network pharmacology studies of Phyllanthus emblica to tackle SARS-CoV-2

Phytomedicine Plus - Tập 1 - Trang 100095 - 2021
Rupesh V. Chikhale1, Saurabh K. Sinha2, Pukar Khanal3, Nilambari S. Gurav4, Muniappan Ayyanar5, Satyendra K. Prasad6, Manish M. Wanjari7, Rajesh B. Patil8, Shailendra S. Gurav9
1UCL School of Pharmacy, Brunswick Square, London WC1N 1AX, United Kingdom
2Department of Pharmaceutical Sciences, Mohanlal Shukhadia University, Udaipur, Rajasthan, 313 001, India
3Department of Pharmacology and Toxicology, KLE College of Pharmacy, KLE Academy of Higher Education and Research (KAHER), Belagavi 590010, India
4Department of Pharmacognosy and Phytochemistry, PES's Rajaram and Tarabai Bandekar College of Pharmacy, Ponda, Goa University, Goa 403401, India
5Department of Botany, A.V.V.M. Sri Pushpam College (Autonomous), Bharathidasan University, Poondi, Thanjavur 613 503, India
6Department of Pharmaceutical Sciences, R.T.M. University, Nagpur, Maharashtra, 440033 India
7Regional Ayurveda Research Institute for Drug Development, Pune, Maharashtra, India
8Sinhgad Technical Education Society's, Smt. Kashibai Navale College of Pharmacy, Pune, Maharashtra, India
9Department of Pharmacognosy and Phytochemistry, Goa College of Pharmacy, Panaji, Goa University, Goa- 403 001, India

Tài liệu tham khảo

Anson, B., Mesecar, A., 2020. X-ray structure of SARS-CoV-2 main protease bound to boceprivir at 1.45 Å. PDB ID 6WNP 10. https://10.2210/pdb6WNP/pdb. Baker, D., 1998. Pyran-chromenone compounds, their synthesis and anti-HIV activity. Chikhale, 2021, Computational assessment of saikosaponins as adjuvant treatment for covid-19: molecular docking, dynamics, and network pharmacology analysis, Mol. Divers., 1 Chikhale, 2020, Sars-cov-2 host entry and replication inhibitors from Indian ginseng: an in-silico approach, J. Biomol. Struct. Dyn., 1 Chikhale, 2020, In-silico investigation of phytochemicals from Asparagus racemosus as plausible antiviral agent in COVID-19, J. Biomol. Struct. Dyn., 1 De Clercq, 2000, Current lead natural products for the chemotherapy of human immunodeficiency virus (HIV) infection, Med. Res. Rev., 20, 323, 10.1002/1098-1128(200009)20:5<323::AID-MED1>3.0.CO;2-A El-mekkawy, 1995, Inhibitory effects of egyptian folk medicines oh human immunodeficiency virus (HIV) reverse transcriptase, Chem. Pharm. Bull., 43, 641, 10.1248/cpb.43.641 Consortium, 2004, The Gene Ontology (GO) database and informatics resource, Nucleic Acids Res., 32, D258, 10.1093/nar/gkh036 Hoffmann, 2020, SARS-CoV-2 cell entry depends on ACE2 and TMPRSS2 and is blocked by a clinically proven protease inhibitor, Cell, 181, 271, 10.1016/j.cell.2020.02.052 Hosseinzade, 2019, Immunomodulatory effects of flavonoids: possible induction of T CD4+ regulatory cells through suppression of mTOR pathway signaling activity, Front. Immunol., 10, 51, 10.3389/fimmu.2019.00051 Johnson, 2012, Ras family of small GTPases in immunity and inflammation, Curr. Opin. Pharmacol., 12, 458, 10.1016/j.coph.2012.02.003 Khanal, 2021, Withanolides from Withania somnifera as an immunity booster and their therapeutic options against COVID-19, J. Biomol. Struct. Dyn., 1, 10.1080/07391102.2020.1869588 Khanal, 2021, Combination of system biology to probe the anti-viral activity of andrographolide and its derivative against COVID-19, RSC Adv., 11, 5065, 10.1039/D0RA10529E Khanal, 2020, Network pharmacology of AYUSH recommended immune-boosting medicinal plants against COVID-19 25, J. Ayurveda Int. Med. Kim, 2020, Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2, Protein Sci., 29, 1596, 10.1002/pro.3873 Lan, 2020, Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor, Nature, 581, 215, 10.1038/s41586-020-2180-5 Li, 2005, Identification of natural compounds with antiviral activities against SARS-associated coronavirus, Antivir. Res., 67, 18, 10.1016/j.antiviral.2005.02.007 Li, 2019, WNT/β-catenin signaling pathway regulating T cell-inflammation in the tumor microenvironment, Front. Immunol., 10, 2293, 10.3389/fimmu.2019.02293 Liu, 2009, Anti-coxsackie virus B3 norsesquiterpenoids from the roots of Phyllanthus emblica, J. Nat. Prod., 72, 969, 10.1021/np800792d Lv, 2014, Apigenin inhibits enterovirus 71 replication through suppressing viral IRES activity and modulating cellular JNK pathway, Antivir. Res., 109, 30, 10.1016/j.antiviral.2014.06.004 Muñoz-Fontela, 2016, Emerging roles of p53 and other tumour-suppressor genes in immune regulation, Nat. Rev. Immunol., 16, 741, 10.1038/nri.2016.99 Palazon, 2014, HIF transcription factors, inflammation, and immunity, Immunity, 41, 518, 10.1016/j.immuni.2014.09.008 Park, 2008, Chromone and chromanone derivatives as strand transfer inhibitors of HIV-1 integrase, Arch. Pharm. Res., 31, 1, 10.1007/s12272-008-1111-z Patil, 2020, Computational and network pharmacology analysis of bioflavonoids as possible natural antiviral compounds in Covid-19, Inform. Med. Unlocked Šedý, 2014, Tumor necrosis factor superfamily in innate immunity and inflammation, Cold Spring Harb. Perspect. Biol., 7 Shannon, 2003, Cytoscape: a software environment for integrated models of biomolecular interaction networks, Genome Res., 13, 2498, 10.1101/gr.1239303 Variya, 2016, Emblica officinalis (Amla): A review for its phytochemistry, ethnomedicinal uses and medicinal potentials with respect to molecular mechanisms, Pharmacol. Res., 111, 180, 10.1016/j.phrs.2016.06.013 Xiang, 2010, Effects of 1, 2, 4, 6-tetra-O-galloyl-β-D-glucose from P. emblica on HBsAg and HBeAg secretion in HepG2. 2.15 cell culture, Virol. Sin., 25, 375, 10.1007/s12250-010-3144-y Xiang, 2011, In vitro anti-herpes simplex virus activity of 1, 2, 4, 6-Tetra-O-galloyl-β-D-glucose from Phyllanthus emblica L.(Euphorbiaceae), Phytother. Res., 25, 975, 10.1002/ptr.3368 Zenobia, 2015, Basic biology and role of interleukin-17 in immunity and inflammation, Periodontol, 69, 142, 10.1111/prd.12083