참고문헌 (47)

1. SoftwareX Abraham 1 19 2015 10.1016/j.softx.2015.06.001 GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers 

   상세보기

2. J. Phys. Chem. A Aihara 103 7487 1999 10.1021/jp990092i Reduced HOMO-LUMO gap as an index of kinetic stability for polycyclic aromatic hydrocarbons 

   상세보기

3. Protein Eng. Des. Sel. Amiri 20 353 2007 10.1093/protein/gzm029 Molecular dynamics studies of AChBP with nicotine and carbamylcholine: the role of water in the binding pocket 

   상세보기

4. Baker 98 10037 2001 Proceedings of the National Academy of Sciences of the United States of America Electrostatics of nanosystems: application to microtubules and the ribosome 

5. J. Med. Chem. Bandgar 54 1191 2011 10.1021/jm101085j Synthesis and biological evaluation of orally active prodrugs of indomethacin 

   상세보기

6. Lancet Bhala 382 9894 769 2013 10.1016/S0140-6736(13)60900-9 Vascular and upper gastrointestinal effects of non-steroidal anti-inflammatory drugs: meta-analyses of individual participant data from randomised trials 

   상세보기

7. J. Mol. Liq. Bharadwaj 1 2020 Density functional theory and molecular dynamics simulation support Ganoderma lucidum triterpenoids as broad range antagonist of matrix metalloproteinases 

8. J. Chem. Theory Comput. Bjelkmar 6 459 2010 10.1021/ct900549r Implementation of the CHARMM Force Field in GROMACS: analysis of protein stability effects from correction maps, virtual interaction sites, and water models 

   상세보기

9. Biochem. Pharmacol. Cerella 80 12 1801 2010 10.1016/j.bcp.2010.06.050 Targeting COX-2 expression by natural compounds: a promising alternative strategy to synthetic COX-2 inhibitors for cancer chemoprevention and therapy 

   상세보기

10. Frisch 2003 Gaussian 03, Revision B 

11. Angew. Chem. Int. Ed. Fukui 21 11 801 1982 10.1002/anie.198208013 The role of frontier orbitals in chemical reactions (Nobel Lecture) 

    상세보기

12. Bioinformatics Grant 22 2695 2006 10.1093/bioinformatics/btl461 Bio3d: an R package for the comparative analysis of protein structures 

    상세보기

13. Eur. J. Med. Chem. Grover 80 47 2014 10.1016/j.ejmech.2014.04.033 Synthesis, biological evaluation, molecular docking and theoretical evaluation of ADMET properties of nepodin and chrysophanol derivatives as potential cyclooxygenase (COX-1, COX-2) inhibitors 

    상세보기

14. J. Lipid Res. Hotta 51 1 132 2010 10.1194/jlr.M900255-JLR200 Carvacrol, a component of thyme oil, activates PPARα and γ and suppresses COX-2 expression 

    상세보기

15. Chem. Biol. Interact. Hwang 181 366 2009 10.1016/j.cbi.2009.07.017 Protective mechanisms of 3-caffeoyl, 4-dihydrocaffeoyl quinic acid from Salicornia herbacea against tert-butyl hydroperoxide-induced oxidative damage 

    상세보기

16. J. Clin. Endocrinol. Metab. Jabbour 88 4481 2003 10.1210/jc.2003-030297 Prostaglandin E2 induces proliferation of glandular epithelial cells of the human endometrium via extracellular regulated kinase 1/2-mediated pathway 

    상세보기

17. Sci. Rep. Khan 8 144 1 2018 In vitro and in vivo antitumor potential of carvacrol nanoemulsion against human lung adenocarcinoma A549 cells via mitochondrial mediated apoptosis 

18. Food Chem. Kim 125 55 2011 10.1016/j.foodchem.2010.08.035 Dicaffeoylquinic acid derivatives and flavonoid glucosides from glasswort (Salicornia herbacea L.) and their antioxidative activity 

    상세보기

19. J. Chem. Inf. Model. Kumari 54 1951 2014 10.1021/ci500020m g_mmpbsa-A GROMACS Tool for High-Throughput MM-PBSA Calculations 

    상세보기

20. Arch. Pharm. Res. Landa 32 1 75 2009 10.1007/s12272-009-1120-6 In vitro anti-inflammatory activity of carvacrol: inhibitory effect on COX-2 catalyzed prostaglandin E2 biosynthesisb 

    원문보기 상세보기

21. Arch. Pharm. Res. Lee 27 1034 2004 10.1007/BF02975427 Constituents of the halophyte Salicornia herbacea 

    원문보기 상세보기

22. FASEB J Levine 17 800 2003 10.1096/fj.02-0906hyp Does the release of arachidonic acid from cells play a role in cancer chemoprevention? 

    상세보기

23. J. Comput. Chem. Morris 30 2785 2009 10.1002/jcc.21256 AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility 

    상세보기

24. Murray 1996 Molecular Electrostatic Potentials: Concepts and Applications 

25. J. Biol. Chem. Orlando 291 15069 2016 10.1074/jbc.M116.725713 Substrate-selective inhibition of cyclooxygeanse-2 by fenamic acid derivatives is dependent on peroxide tone 

    상세보기

26. Sci. Rep. Page 8 1812 1 2018 The inflammatory effects of TNF-α and complement component 3 on coagulation 

27. Bioorg. Med. Chem. Ren 26 4264 2018 10.1016/j.bmc.2018.07.022 Design and biological evaluation of novel hybrids of 1, 5-diarylpyrazole and Chrysin for selective COX-2 inhibition 

    상세보기

28. Bioorg. Chem. Revankar 71 146 2017 10.1016/j.bioorg.2017.02.001 Coumarins scaffolds as COX inhibitors 

    상세보기

29. PLoS ONE Rocha 13 6 2018 10.1371/journal.pone.0198476 Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties 

    상세보기

30. Bioorg. Chem. Sharma 89 2019 10.1016/j.bioorg.2019.103007 Recent advancement in the discovery and development of COX-2 inhibitors: insight into biological activities and SAR studies (2008-2019) 

    상세보기

31. Science Streitwieser 214 4521 627 1981 10.1126/science.214.4521.627 The 1981 Nobel Prize in Chemistry 

    상세보기

32. Eur. J. Med. Chem. Taher 171 372 2019 10.1016/j.ejmech.2019.03.042 Novel benzenesulfonamide and 1,2-benzisothiazol-3(2H)-one-1,1-dioxide derivatives as potential selective COX-2 inhibitors 

    상세보기

33. Phytomedicine Tao 21 11 1473 2014 10.1016/j.phymed.2014.05.001 Phenolcarboxylic acids from medicinal herbs exert anticancer effects through disruption of COX-2 activity 

    상세보기

34. J. Ethnopharmacol. Termer 270 2021 10.1016/j.jep.2020.113741 Identification of plant metabolite classes from Waltheria Indica L. extracts regulating inflammatory immune responses via COX-2 inhibition 

    상세보기

35. Cancer Metastasis Rev. Tong 37 355 2018 10.1007/s10555-018-9752-y The roles of the COX2/PGE2/EP axis in therapeutic resistance 

    상세보기

36. Phytomedicine Tran 62 2019 10.1016/j.phymed.2019.152951 Anti-inflammatory and antiproliferative compounds from Sphaeranthus africanus 

    상세보기

37. J. Comput. Chem. Trott 31 455 2010 10.1002/jcc.21334 Software News and Update AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading 

    상세보기

38. J. Agric. Food Chem. Tuan 63 10121 2015 10.1021/acs.jafc.5b04069 Flavanones and Chromones from Salicornia herbacea mitigate septic lethality via restoration of vascular barrier integrity 

    상세보기

39. J. Funct. Foods Tuan 15 326 2015 10.1016/j.jff.2015.03.044 Quinic acid derivatives from Salicornia herbacea alleviate HMGB1-mediated endothelial dysfunction 

    상세보기

40. Crit. Rev. Oncol. Hematol. Tuynman 52 81 2004 10.1016/S1040-8428(04)00139-8 COX-2 inhibition as a tool to treat and prevent colorectal cancer 

    상세보기

41. J. Chem. Theory Comput. Vijayaraj 5 2744 2009 10.1021/ct900347f Comparison of global reactivity descriptors calculated using various density functionals: a QSAR perspective 

    상세보기

42. J. Chem. Phys. Wang 133 2010 10.1063/1.3446812 Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency 

    상세보기

43. Cancer Metastasis Rev. Wang 26 525 2007 10.1007/s10555-007-9096-5 Cyclooxygenases, prostanoids, and tumor progression 

    상세보기

44. Bioorg. Med. Chem. Lett. Wu 29 383 2019 10.1016/j.bmcl.2018.12.036 Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout 

    상세보기

45. Med. Chem. Res. Yadava 21 2162 2012 10.1007/s00044-011-9724-z A comparison of crystallographic and DFT optimized geometries on two taxane diterpenoids and docking studies with phospholipase A2 

    상세보기

46. Fitoterapia Zhang 141 2020 10.1016/j.fitote.2020.104470 New sesquiterpenoids with COX-2 inhibitory activity from the medical plant Physalis. alkekengi L. var. franchetii 

    상세보기

47. J. Comput. Chem. Zoete 32 2359 2011 10.1002/jcc.21816 SwissParam: a fast force field generation tool for small organic molecules 

    상세보기

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