02147nas a2200217 4500008004100000245015300041210006900194260001400263300001200277490000700289520145000296653000901746653001501755653001401770653002301784653001001807100002401817700002401841700002801865856003601893 2020 eng d00aMolecular Mechanism of Capsaicin from (Capsicum Annuum L.) on Expression of MAPK1 and AKT1 Protein as Candidate of Anticancer Drugs: In silico Study0 aMolecular Mechanism of Capsaicin from Capsicum Annuum L on Expre cJune 2020 a916-9190 v123 a

One of the most important compounds in Capsicum annuum L. is capsaicin, capsaicin is a secondary metabolite of the Capsicum Annuum L. plant. In the pharmaceutical field in addition to relieving pain or pain, capsaicin is also known to have anticancer activity because it inhibits certain oncogenic proteins. Further screening of the capsaicin compound against the oncogenic protein produced in the HCC pathogenesis signaling is needed. Screening components in Capsicum annuum L. against MAPK1 and AKT1 target proteins is the initial stage of drug discovery. MAPK1 and AKT1 protein bundles and capsaicin ligand bundles that were prepared previously in Autodock 4.0 were molecular dockings (molecular docking). After molecular docking, it was found that capsaicin binds to MAPK1 / ERK with the free energy of Gibbs of -5.5 Kcal/mol and AKT1 of -6.7 Kcal/mol. The free energy of Gibbs is so negative that it is ensured that the reaction will take place spontaneously and lead to high affinity. The data that has been obtained, capsaicin in Capsicum annuum L. has a high affinity for MAPK1 and AKT1 receptor/protein targets with the binding energy of -5.5 Kcal/mol and -6.7 Kcal/ mol and Potential Activity Score (Pa ) equal to 0,690 for preneoplastic treatment, 0.590 for apoptosis agonist, and 0.366 for antineoplastic activity and accordingly become candidates for anticancer drugs.

10aAKT110aAnticancer10aCapsaicin10aCapsicum annuum L.10aMAPK11 aSukmanadi, Mohammad1 aSudjarwo, Sri, Agus1 aEffendi, Mustofa, Helmi uhttps://phcogj.com/article/1194