Systematic analysis of Quercetin and its derivatives with Special Reference to anti-inflammatory property-Based on Network Pharmacology

Authors

DOI:

https://doi.org/10.14719/pst.1705

Keywords:

Anti-inflammatory, CADD, Pomegranate, Quercetin

Abstract

The clinical success of phyto-chemicals and computationally assisted drug discovery-derived agents has stimulated the development of novel compounds for human illnesses. In the field of anticancer drug discovery, rational investigation has sped up the process. Quercetin and its derivatives have a long history of anti-inflammatory efficacy in pomegranate and other natural products, according to scientific evidence. Small structural alterations, for example, can drastically affect cell death behaviour and trigger inflammation, making it difficult to unravel the structure-activity relationship. As a result, our objective is to use a rational drug discovery approach to develop a mechanistic approach for quercetin and its derivatives, which will be compared to market anti-inflammatory medications utilising in-silico tools. Using the software Cytoscape, we created pharmacology networks of inflammatory proteins based on data acquired from several databases. The networks show how bioactives interact with molecular targets and how they relate to illnesses, particularly inflammation. Quercetin's network pharmacology study has shown novel connections between bioactive targets and possible inflammatory aetiology applications. The future prospect is to understand these chemicals in vitro and in vivo.

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References

Kumar HPP, Pande V, Karunakar P, Shiksha K, Singh L, Ramesh N et al. Potential Cyclooxygenase (COX-2) enzyme inhibitors from Myrica nagi-from in-silico to in-vitro investigation. Pharmacology Magazine. 2019; 15(64): 280-87. doi: 10.4103/pm.pm_56_19

Srinivasa SB, Poojary B, Brahmavara U, Das AJ, Middha SK. Anti-inflammatory, radical scavenging mechanism of new 4-aryl-[1,3]-thiazol-2-yl-2-quinoline carbohydrazides and quinolinyl[1,3]-thiazolo[3,2-b ][1,2,4]triazoles. Chemistry Select. 2018; 3(4): 12478-85. doi:10.1002/slct.201801398.

Abe J, Berk BC. Reactive oxygen species as mediators of signal transduction in cardiovascular disease. Trends Cardiovasc Med. 1998; 8(2):59-64. doi: 10.1016/S1050-1738(97)00133-3.

Busciglio J, Yankner BA. Apoptosis and increased generation of reactive oxygen species in Down's syndrome neurons in vitro. Nature. 1995; 378(6559):776-79.doi: 10.1038/378776a0.

Smith WL, DeWitt DL, Garavito RM. Cyclooxygenases: structural, cellular and molecular biology. Annu Rev Biochem. 2000; 69:145-82. doi: 10.1146/annurev.biochem.69.1.145.

Dubois RN, Abramson SB, Crofford L, Gupta RA, Simon LS, Van De Putte LB, Lipsky PE. Cyclooxygenase in biology and disease. Federation of American Societies for Experimental Biology. 1998;12(12):1063-73. doi.org/10.1096/fasebj.12.12.1063.

Middha SK, Usha T, Pande V. HPLC evaluation of phenolic profile, nutritive content and antioxidant capacity of extracts obtained from Punica granatum fruit peel. Adv Pharmacol Sci. 2013; 2013:296236. doi.org/10.1155/2013/296236.

Middha SK, Usha T, Pande V. A Review on antihyperglycemic and antihepatoprotective activity of eco-friendly Punica granatum peel waste. Evid Based Complement Alternat Med. 2013; 2013:656172. doi: 10.1155/2013/656172.

Chen X, Ung CY, Chen Y. Can an in silico drug-target search method be used to probe potential mechanisms of medicinal plant ingredients? Nat Prod Rep. 2003; 20(4):432-44. doi: 10.1039/b303745b.

Sak K. Cytotoxicity of dietary flavonoids on different human cancer types. Pharmacogn Rev. 2014; 8(16):122-46. doi: 10.4103/0973-7847.134247.

Boots AW, Haenen GR, Bast A. Health effects of quercetin: from antioxidant to nutraceutical. Eur J Pharmacol. 2008; 585(2-3):325-37. doi: 10.1016/j.ejphar.2008.03.008.

Li Y, Yao J, Han C, Yang J, Chaudhry MT, Wang S, Liu H, Yin Y. Quercetin, inflammation and immunity. Nutrients. 2016; 8(3):167. doi: 10.3390/nu8030167.

Sharma A, Kashyap D, Sak K, Tuli H, Sharma A. Therapeutic charm of quercetin and its derivatives: A review of research and patents. Pharmaceutical Patent Analyst. 2018;7(1): 15-32. doi: 10.4155/ppa-2017-0030.

Yang D, Wang T, Long W, Li P. Quercetin: Its main pharmacological activity and potential application in clinical medicine oxidative medicine and cellular longevity. 2020; Article ID 8825387. doi.org/10.1155/2020/8825387

Usha T, Tripathi P, Pande V, Middha SK. Molecular docking and quantum mechanical studies on pelargonidin-3-glucoside as renoprotective ACE inhibitor. ISRN Computational Biology. 2013;1-4. doi.org/10.1155/2013/428378

Accelrys Software Inc. Discovery Studio Modeling Environment, Release 3.5 (San Diego). 2012

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Advanced Drug Delivery Review. 2001; 46(1-3): 3-26. doi: 10.1016/s0169-409x(00)00129-0.

Usha T, Shanmugarajan D, Goyal AK, Kumar CS, Middha SK. Recent updates on computer-aided drug discovery: Time for a paradigm shift. Curr Top Med Chem. 2017; 17(30):3296-307.doi: 10.2174/1568026618666180101163651.

Schwaner E, Németh Z, Jani PK et al. Transcriptome analysis of inflammation-related gene expression in endothelial cells activated by complement MASP-1. Sci Rep. 2017;7:10462. https://doi.org/10.1038/s41598-017-09058-8.

Marklová E. Inflammation and genes. Acta Medica (Hradec Kralove). 2007;50(1):17-21. https://doi.org/10.14712/18059694.2017.54

Snel B, Lehmann G, Bork P, Huynen MA. STRING: a web-server to retrieve and display the repeatedly occurring neighbourhood of a gene. Nucleic Acids Res. 2000; 28(18):3442-44. doi: 10.1093/nar/28.18.3442.

Krymchantowski AV, Bigal ME. Rizatriptan versus rizatriptan plus rofecoxib versus rizatriptan plus tolfenamic acid in the acute treatment of migraine. BMC Neurol. 2004;4:10. doi: 10.1186/1471-2377-4-10.

Usha T, Middha SK, Goyal AK, Karthik M, Manoj D, Faizan S et al. Molecular docking studies of anti-cancerous candidates in Hippophae rhamnoides and Hippophae salicifolia. J Biomed Res. 2014; 28(5):406-15. doi: 10.7555/JBR.28.20130110.

Rohs R, Sklenar H, Shakked Z. Structural and energetic origins of sequence-specific DNA bending: Monte Carlo simulations of papillomavirus E2-DNA binding sites. Structure. 2005;13(10):1499-509. doi: 10.1016/j.str.2005.07.005.

Usha T, Middha SK, Shanmugarajan D, Babu D, Goyal AK, Yusufoglu HS, Sidhalinghamurthy KR. Gas chromatography-mass spectrometry metabolic profiling, molecular simulation and dynamics of diverse phytochemicals of Punica granatum L. leaves against estrogen receptor. Frontiers in Bioscience-Landmark. 2021; 26(9): 423-41. doi:10.52586/4957

Wang B, Yang LP, Zhang XZ, Huang SQ, Bartlam M, Zhou SF. New insights into the structural characteristics and functional relevance of the human cytochrome P450 2D6 enzyme. Drug Metab Rev. 2009; 41(4):573-643. doi: 10.1080/03602530903118729.

Assenov Y, Ramírez F, Schelhorn SE, Lengauer T, Albrecht M. Computing topological parameters of biological networks. Bioinformatics. 2008; 24(2):282-84. doi: 10.1093/bioinformatics/btm554.

Daina A and Zoete V. A BOILED-Egg To predict gastrointestinal absorption and brain penetration of small molecules. ChemMedChem 2016; 11: 1117-21. doi:10.1002/cmdc.201600182

Published

03-10-2022

How to Cite

1.
Dutta S, Prashanth KHP, Ramesh N, Middha SK. Systematic analysis of Quercetin and its derivatives with Special Reference to anti-inflammatory property-Based on Network Pharmacology. Plant Sci. Today [Internet]. 2022 Oct. 3 [cited 2024 Nov. 21];9(sp2):41-6. Available from: https://horizonepublishing.com/journals/index.php/PST/article/view/1705

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Research Articles

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