Molecular mechanism of capsaicin from (Capsicum Annuum L.) on expression of MAPK1 and AKT1 protein as candidate of anticancer drugs: In silico study

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Abstract

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.

Original languageEnglish
Pages (from-to)916-919
Number of pages4
JournalPharmacognosy Journal
Volume12
Issue number4
DOIs
Publication statusPublished - Jun 2020

Keywords

  • AKT1
  • Anticancer
  • Capsaicin
  • Capsicum annuum L
  • MAPK1

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