Memory-Enhancement by Traditional Chinese Medicine?
I-Chi Hung, Su-sen Chang, Pei-Chun, Chang, Cheng-Chun Lee, Calvin Yu-Chian Chen [1]
Molecular Tour
Cognitive impairment is an emerging issue and increasing research points to the significant role of insulin-like growth factor I (IGF-I) in cognitive brain functions. (IGF-IR, PDB ID: 3i81) activation is critical for IGF-I to elicit desirable cognitive functions. Traditional Chinese medicine (TCM) ligands (orgin: Isatisin digotica), (origin: Lindera aggregate), and (origin: Nelumbonucifera Gaertn) showed high binding affinity towards IGF-IR at the binding site defined by the control in PDB ID: 3i81. Molecular dynamics simulation revealed that the TCM ligands were secured at the opening of the IGF-IR binding site for the duration of the MD. was stabilized by , was stabilized by , and (+)-1(R)-Coclaurine was stabilized by Leu975 and Gly1055 (global view file: top3_971top.pdb, top3_971top.png; local zoomed in file: top3_971topzoomin.pdb; top3_971topzoomin.png). Four different quantitative-structure activity relationship models consistently predicted bioactivity of the TCM ligands towards IGF-IR. In summary, the TCM candidates exhibit drug-like potential in both structural-based and ligand-based properties and may have potential for further applications in enhancing cognition.
