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Original Research

The Search for Cyclooxygenase-2 (COX-2) Inhibitors for the Treatment of Inflammation Disease: An in-silico Study

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Pages 783-791 | Published online: 12 Apr 2022

References

  • Leláková V, Šmejkal K, Jakubczyk K, et al. Parallel in vitro and in silico investigations into anti-inflammatory effects of non-prenylated stilbenoids. Food Chem. 2019;285:431–440.
  • Ahmed EM, Kassab AE, El-Malah AA, Hassan MSA. Synthesis and biological evaluation of pyridazinone derivatives as selective COX-2 inhibitors and potential anti-inflammatory agents. Eur J Med Chem. 2019;171:25–37.
  • de Souza G, Silva RJ, Milián ICB, et al. Cyclooxygenase (COX)-2 modulates Toxoplasma gondii infection, immune response and lipid droplets formation in human trophoblast cells and villous explants. Scie Rep. 2021;11:12709.
  • El-Sayed NA, Nour MS, Salem MA, Arafa RK. New oxadiazoles with selective-COX-2 and EGFR dual inhibitory activity: design, synthesis, cytotoxicity evaluation and in silico studies. Eur J Med Chem. 2019;183:111693.
  • Kumar R, Saha N, Purohit P, et al. Cyclic enaminone as new chemotype for selective cyclooxygenase-2 inhibitory, anti-inflammatory, and analgesic activities. Eur J Med Chem. 2019;182:111601.
  • Atatreh N, Youssef AM, Ghattas MA, et al. Anti-inflammatory drug approach: synthesis and biological evaluation of novel pyrazolo[3,4-d]pyrimidine compounds. Bioorg Chem. 2019;86:393–400.
  • Arba M, Wahyudi ST, Brunt DJ, Paradis N, Wu C. Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2. Comput Biol Med. 2021;129:104156.
  • Wolber G, Langer T. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters. J Chem Inf Model. 2005;45:160–169.
  • Mysinger MM, Carchia M, Irwin JJ, Shoichet BK. Directory of Useful Decoys, Enhanced (DUD-E): better Ligands and Decoys for Better Benchmarking. J Med Chem. 2012;55:6582–6594.
  • Irwin JJ, Sterling T, Mysinger MM, Bolstad ES, Coleman RG. ZINC: a Free Tool to Discover Chemistry for Biology. J Chem Inf Model. 2012;52:1757–1768.
  • Duggan KC, Hermanson DJ, Musee J, et al. (R)-Profens are substrate-selective inhibitors of endocannabinoid oxygenation by COX-2. Nat Chem Bio. 2011;7:803–809.
  • Sanad SMH, Mekky AEM. Synthesis, cytotoxicity and in vitro antibacterial screening of novel hydrazones bearing thienopyridine moiety as potent COX-2 inhibitors. J Iran Chem Soc. 2020;17:3299–3315.
  • Zhang B, Hu X-T, Gu J, Yang Y-S, Duan Y-T, Zhu H-L. Discovery of novel sulfonamide-containing aminophosphonate derivatives as selective COX-2 inhibitors and anti-tumor candidates. Bioorg Chem. 2020;105:104390.
  • Heidarpoor SL, Ebrahimi A, Lagzian M. Identification of new potential cyclooxygenase-2 inhibitors: insight from high throughput virtual screening of 18 million compounds combined with molecular dynamic simulation and quantum mechanics. J Biomol Struct Dyn. 2021;39:1717–1734.
  • Abdellatif KRA, Abdelall EKA, Elshemy HAH, El-Nahass E-S, Abdel-Fattah MM, Abdelgawad YYM. New indomethacin analogs as selective COX-2 inhibitors: synthesis, COX-1/2 inhibitory activity, anti-inflammatory, ulcerogenicity, histopathological, and docking studies. Arch Pharm. 2021;354:2000328.
  • Szczukowski Ł, Krzyżak E, Zborowska A, et al. Design, Synthesis and Comprehensive Investigations of Pyrrolo[3,4-d]pyridazinone-Based 1,3,4-Oxadiazole as New Class of Selective COX-2 Inhibitors. Int J Mol Sci. 2020;21(24):356.