Computational prediction of the patchouli plant (Pogostemon cablin Benth.) as an antiaging agent through activation of telomerase enzyme in the PI3K-Akt pathway.

Abstract

Skin ageing is a natural process that occurs in living beings characterized by a decline in the function of tissues and cells, which over time will become apparent through different processes or pathways in various organs, tissues, and cells. Living organisms undergo the ageing process simultaneously with their growth and development, characterized by constant cell division that leads to a decrease in the telomeric region of the chromosome. An active telomerase enzyme that adds a sequence of nucleotides to telomeres can keep them from shortening. The telomerase enzyme, on the other hand, is generally not active in skin cells due to constrained regulation. Research has demonstrated that anti-ageing drugs under development can activate the telomerase enzyme. The study used a computer-based method to examine how well patchouli plant parts could work as telomerase enzyme activators in cells' metabolic pathways. This research uses an in silico approach with three primary methods: network pharmacology, molecular docking, and molecular dynamics simulations. According to the network pharmacology study, the compounds found in the patchouli plant parts can turn on the telomerase enzyme through the PI3K-Akt pathway. Compounds in the patchouli plant activate the AKT1, HSP90AA1, and HSP90AB1 proteins. These proteins are part of the telomerase enzyme activation pathway. Furthermore, molecular docking and molecular dynamics analyses show that patchouli plant compounds bind well to each protein, implying that the patchouli plant can activate telomerase. Both in vitro and in vivo tests are required to verify these findings.