03702nas a2200277 4500008004100000245009500041210007000136260001600206300001200222490000700234520292200241653001803163653001403181653001403195653000903209653001103218100001903229700000503248700000503253700001903258700002803277700002903305700002803334700002203362856004003384 2022 eng d00aLeaf Effect of C. Trifolia L. as Nf-B and Tnf-Α Inhibitor Compounds with In Silico Method0 aLeaf Effect of C Trifolia L as NfB and TnfΑ Inhibitor Compounds  cAugust 2022 a407-4150 v143 a

Introduction: Infection H. pylori causes inflammation through various pathways to induce proinflammatory cytokines such as IL-1, IL-6, IL-8, and TNF-α. The transcription factor NF-kB is a crucial regulator of the immune response and inflammation and regulates many cellular processes that are important in carcinogenesis, including transformation, proliferation, angiogenesis, and metastasis. Antiinflammatory plant C. trifolia L was shown to inhibit the activity of NF-B and several pro-inflammatory cytokine mediators. This study proved that the active compound from the plant's leaves, C. trifolia L has potential as an inhibitor of NF-B and TNF-α. Method: This study used a docking method with a grid box mimicking the bond between the receptor and the inhibitor control complex. Results: The bioactivity of Cayratria trifolia compounds as anti-inflammatory was shown in the inflammation parameters used, namely Interleukin 10 agonist, Interleukin agonist, Interleukin antagonist, Interleukin 6 antagonist, Interleukin 4 antagonist, Interleukin 2 agonist, Interleukin 1 antagonist, Interleukin 1b antagonist, Interleukin 10 antagonist, Interleukin 12 agonist, and Interleukin 1a antagonist. Interleukin 2 agonists showed the highest activity of all compounds. Piceid compounds showed high anti-inflammatory activity with interleukin 10 agonists, interleukin agonists, interleukin 6 antagonists, and interleukin 2 agonists. The compounds stilbenes, piceid, resveratrol, cyclopentadecane, and hentriacontane showed potency higher interleukin-6 inhibition than the other 22 compounds. These five compounds were continued for molecular docking analysis. The low bond energy is correlated with the number of bonds and the variety of interactions. The higher the number of bonds and the type of interaction, the lower the bond energy. The lower the bond energy, the stronger the interaction between the ligand and protein. Conclusion: Based on the prediction of anti-inflammatory bioactivity, five potential compounds were identified, namely cyclopentadecane, resveratrol, stilbenes, piceid, and hentriacontane. The five compounds bind to NFkB on the active site of the binding site with DNA, and this inhibition causes DNA to be unable to restrain NFkB transcription factors, and transcription does not occur. This proves that the active compound from the leaves of the plant C. trifolia L has potential as an inhibitor of NF-κB compounds. Inhibition of 6 compounds on TNF at the TNF receptor proves that the active compound from the leaves of the plant C. trifolia L has potential as a TNF-α inhibitor compound. The active ingredient Piceid exhibits predominant anti-inflammatory potential with lower binding energy and stronger interactions than other complexes.

10aC. trifolia L10aH. Pylori10ain silico10aNFkB10aTNF-α1 aSukmana, Judya1 a1 a1 aSudiana, Ketut1 aNotobroto, Hari, Basuki1 aSaputro, Iswinarno, Doso1 aDachlan, Yoes, Prijatna1 aJoewarini, Endang uhttps://www.phcogj.com/article/1849