Molecular Docking of Compounds from Plectranthus amboinicus against Target Protein p53 as a Candidate for Anti-Aging Medicine

Abstract

Abstract Introduction: Aging is an inevitable process that significantly impacts oral and dental health, especially among individuals aged 65 and older. The protein p53 is thought to be involved in the aging process by regulating cellular senescence. Molecular docking techniques can assist in assessing the potential of compounds derived from various plants for use as herbal medicines. Indonesia alone possesses a wealth of medicinal plants known to contain herbal compounds believed to offer remedies for a wide range of illnesses. As an illustration, among these plants is Mexican mint, scientifically known as Plectranthus amboinicus. Compounds of thymol, carvacrol, and flavonoids (quercetin, luteolin, apigenin, rutin, eriodictyol) from the extract of the Plectranthus amboinicusplant which are rich in antioxidants are believed to have the potential to inhibit the cellular senescence process to suppress the aging process. The purpose of this research is to investigate the interaction between the ligand of thymol, carvacrol, and flavonoid compounds from Plectranthus amboinicuswith the p53 target protein which is associated with cellular senescence activity in the aging procress. Methods: In silico study through molecular docking to examine the molecular interactions of the ligands of thymol, carvacrol, and flavonoids (quercetin, luteolin, apigenin, rutin, eriodictyol) from the Plectranthus amboinicus plant against the target protein receptor p53 which is responsible for the process of cellular senescence. The interaction results obtained is a histogram which will be analyzed and interpreted to determine the binding affinity of the interactions that occurred. Results: Interactions existed between the ligands of thymol, carvacrol, and flavonoids (quercetin, luteolin, apigenin, rutin, eriodictyol) from the Plectranthus amboinicus plant against the target protein receptor p53. Conclusion: Plectranthus amboinicushas the potential to be an anti-aging agent that can inhibit and slow down the process of aging through in silico studies. However, it is important to conduct additional research regarding the properties of Plectranthus amboinicusto determine the unknown potential of this plant to the human body.