In silico exploration of cyclooxygenase inhibitory activity of natural compounds found in Myrica nagi using LC-MS

Symbiosis

Volumn 70, Issue 1-3, 2016, Pages 169-178

  Middha, Sushil Kumar ^a   Goyal, Arvind Kumar ^b   Bhardwaj, Ankit ^a   Kamal, Raj ^a   Lokesh, Prakash ^c   Prashanth, Hoskote Panditharadhya ^d   Wadhwa, Gulshan ^e   Usha, Talambedu ^a  

^a Maharani Lakshmi Ammanni College for Women   (India)

^b BODOLAND UNIVERSITY   (India)

^c JAIN UNIVERSITY   (India)

^d REVA UNIVERSITY   (India)

^e Biotech Centre   (India)

Author keywords

Binding energy; Cyclooxygenase (COX); Flavonoids; Inflammation; Myrica nagi

Indexed keywords

ACTINORHIZA; CATALYSIS; DICOTYLEDON; DISABILITY; ENZYME ACTIVITY; FATTY ACID; INHIBITION; LIPID; LIQUID CHROMATOGRAPHY; MASS SPECTROMETRY; PHYTOCHEMISTRY; PIGMENT; PLANT EXTRACT; SOFTWARE;

MORELLA NAGI;

EID: 84969800856     PISSN: 03345114     EISSN: 18787665     Source Type: Journal    
DOI: 10.1007/s13199-016-0417-8     Document Type: Article

References (34)

1. Domitrović R, Rashed K, Cvijanović O, Vladimir-Knežević S, Škoda M, Višnić A (2015) Myricitrin exhibits antioxidant, anti-inflammatory and antifibrotic activity in carbon tetrachloride-intoxicated mice. Chem Biol Interact 230:21–29
2. Facundo VA, Rios KA, Medeiros CM, Militao JSLT, Miranda ALP, Epifanio RA, Carvalho MP, Andrade AT, Pinto AC, Rezende CM (2005) Arjunolic acid in the ethanolic extract of Combretum leprosum root and its use as a potential multi-functional phytomedicine and drug for neurodegenerative disorders: anti-inflammatory and anticholinesterase activities. J Braz Chem Soc 16:1309
3. Goyal AK, Mishra T, Bhattacharya M, Kar P, Sen A (2013) Evaluation of phytochemical constituents and antioxidant activity of selected actinorhizal fruits growing in the forests of North-East India. J Biosci 38(4):797–803
4. Gupta SC, Tyagi AK, Deshmukh-Taskar P, Hinojosa M, Prasad S, Aggarwal BB (2014) Downregulation of tumor necrosis factor and other proinflammatory biomarkers by polyphenols. Arch Biochem Biophys 559:91–99
5. Hiermann A, Schramm HW, Laufer S (1998) Anti-inflammatory activity of myricetin-3-O-beta-D-glucuronide and related compounds. Inflamm Res 47:421–427
6. Jeeva S, Lyndem FG, Sawian JT, Laloo RC, Mishra BP (2011) Myrica esculenta Buch. Ham. ex D. Don. - a potential ethnomedicinal species in a subtropical forest of Meghalaya, northeast India. Asian Pac J Trop Biomed 1:S174–S177
7. Jiang Q, Ames BN (2003) Gamma-tocopherol, but not alpha-tocopherol, decreases proinflammatory eicosanoids and inflammation damage in rats. FASEB J 17:816–822
8. Kroemer RT (2007) Structure-based drug design: docking and scoring. Curr Protein Pept Sci 8:312–328
9. Kurumbail RG, Stevens AM, Gierse JK, McDonald JJ, Stegeman RA, Pak JY, Gildehaus D, Miyashiro JM, Penning TD, Seibert K, Isakson PC, Stallings WC (1996) Structural basis for selective inhibition of cyclooxygenase 2 by antiinflammatory agents. Nature 384:644–648
10. Latief N, Anand S, Lingaraju MC, Balaganur V, Pathak NN, Kalra J, Kumar D, Bhadoria BK, Tandan SK (2015) Effect of trimeric myricetin rhamnoside (TMR) in carrageenan-induced inflammation and caecal ligation and puncture-induced lung oxidative stress in mice. Phytother Res 29:1798–1805
11. Leeson P (2012) Drug discovery: chemical beauty contest. Nature 481:455–456
12. Middha SK, Goyal AK, Faizan SA, Sanghamitra N, Basistha BC, Usha T (2013) In silico–based combinatorial pharmacophore modelling and docking studies of GSK-3β and GK inhibitors of Hippophae. J Biosci 38:805–814
13. Middha SK, Goyal AK, Lokesh P, Yardi V, Mojamdar L, Keni DS, Babu D, Usha T (2015) Toxicological evaluation of Emblica officinalis fruit extract and its anti-inflammatory and free radical scavenging properties. Pharmacogn Mag 11:S427–S433
14. Nirmal SA, Pal SC, Mandal SC, Patil AN (2012) Analgesic and anti-inflammatory activity of β-sitosterol isolated from Nyctanthes arbortristis leaves. Inflammopharmacology 20:219–224
15. Nualkaew S, Thongpraditchote S, Wongkrajang Y, Umehara K, Noguchi H (2012) Epigallocatechin gallate, myricetin and ellagic acid glycosides with anti-inflammatory activity of Memecylon edule leaves. Planta Med 78:PI199
16. Panthari P, Kharkwal H, Kharkwal H, Joshi DD (2012) Myrica nagi: a review on active constituents, biological and therapeutic effects. Int J Pharm Pharm Sci 4:38–42
17. Rawat S, Kumar N, Kothiyal P (2013) Evaluate the anti-diabetic activity of Myrica esculenta in streptozotocin induced rats. Int J Univ Pharm Bio Sci 2:510–525
18. Said O, Khalil K, Fulder S, Azaizeh H (2002) Ethnopharmacological survey of medicinal herbs in Israel, the Golan Heights and the West Bank region. J Ethnopharmcol 83:251–265
19. Shimosaki S, Tsurunaga Y, Itamura H, Nakamura M (2011) Anti-allergic effect of the flavonoid myricitrin from Myrica rubra leaf extracts in vitro and in vivo. Nat Prod Res 25:374–380
20. Smith RM, DeWitt DL, Garavito RM (2000) Cyclooxygenases: structural, cellular and molecular biology. Ann Rev Biochem 69:145–182
21. Sousa SF, Ribeiro AJM, Coimbra JTS, Neves RPP, Martins SA, Moorthy NSHN, Fernandes PA, Ramos MJ (2013) Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field Current Medicinal Chem 20:2296--2314
22. Suri C, Naik PK (2012) Elucidating the precise interaction of reduced and oxidized states of neuroglobin with Ubc12 and Cop9 using molecular mechanics studies. Int J Fundam Appl Sci 1:74–77
23. Usha T, Tripathi P, Pande V, Middha SK (2013) Molecular docking and quantum mechanical studies on pelargonidin-3-glucoside as renoprotective ACE inhibitor, ISRN Computational Biology, 2013: 4 pages Article ID 428378
24. Usha T, Goyal AK, Lubna S, Prashanth H, Mohan TM, Pande V, Middha SK (2014a) Identification of anti-cancerous targets of eco-friendly waste Punica granatum peel by dual reverse virtual screening and binding pose analysis. Asian Pac J Cancer Prev 15:10345–10350
25. Usha T, Middha SK, Goyal AK, Karthik M, Manoj DA, Faizan S, Voyal P, Prashanth HP, Pande V (2014b) Molecular docking studies of anti-cancerous candidates in Hippophae rhamnoides and Hippophae salicifolia. J Biomed Res 28:406–415
26. Usha T, Middha SK, Bhattacharya M, Lokesh P, Goyal AK (2014c) Rosmarinic acid, a new polyphenol from Baccaurea ramiflora Lour. leaf: a probable compound for its anti-inflammatory activity. Antioxidants 3:830–842
27. Vane JR, Bakhle YS, Botting RM (1998) Cyclooxygenases 1 and 2. Annu Rev Pharmacol Toxicol 38:97–120
28. Vrielink A, Li J, Brick P, Blow DM (1993) Crystal structure of cholesterol oxidase complexed with a steroid substrate. Implications for fad dependent alcohol oxidases. Biochemistry 32:11507–11515
29. Wallace AC, Laskowski RA, Thornton JM (1996) LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. Protein Eng 8:127–134
30. Wang SJ, Tong Y, Lu S, Yang R, Liao X, Xu YF, Li X (2010) Anti-inflammatory activity of myricetin isolated from Myrica rubra Sieb. et Zucc. leaves. Planta Med 76:1492–1496
31. Wei Y, Chang-ming T, Xian L, Ya Z, Li W, Liang L (2011) Study on the chemical constituents of Myrica esculenta. J Yunnan Uni 33:453--457
32. Wishart DS, Knox C, Guo AC, Shrivastava S, Hassanali M, Stothard P, Chang Z, Woolsey J (2006) DrugBank: a comprehensive resource for in silico drug discovery and exploration. Nucleic Acids Res 34:D668–D672
33. Xing S, Bhat S, Shroff NS, Lopez JA, Margolick JB, Liu JO, Siliciano RF (2012) Novel structurally related compounds reactivate latent HIV-1 in a bcl-2-transduced primary CD4+ T cell model without inducing global T cell activation. J Antimicrob Chemother 67:398–403
34. Yang JM, Shen TW (2005) A pharmacophore-based evolutionary approach for screening selective estrogen receptor modulators. Proteins 59:205–220