Longevity
is a very important and interesting topic, and Klotho has been demonstrated to be related to longevity.
We combined network pharmacology, machine learning, deep learning,
and molecular dynamics (MD) simulation to investigate potent lead
drugs. Related protein insulin-like
growth factor 1 receptor (IGF1R) and insulin receptor (IR) were docked
with the traditional Chinese medicine (TCM) database to screen out
several novel candidates. Besides, nine different machine learning
algorithms were performed to build reliable and accurate predicted
models. Moreover, we used the novel deep learning algorithm to build
predicted models. All of these models obtained significant R
2, which are all greater than 0.87 on the training
set and higher than 0.88 for the test set, respectively. The long
time 500 ns molecular dynamics simulation was also performed to verify
protein–ligand properties and stability. Finally, we obtained Antifebrile Dichroa, Holarrhena antidysenterica, and Gelsemium sempervirens, which
might be potent TCMs for two targets.