Inhibitory Potency of Chlorogenic Acid from Apple Cider Vinegar Against Alzheimer’s Disease: Molecular Docking and Dynamics Validation DOI
Smriti Tripathi,

Sheikh Murtuja,

Mohd Usman Mohd Siddique

et al.

Journal of the American Nutrition Association, Journal Year: 2024, Volume and Issue: 44(3), P. 267 - 282

Published: Nov. 12, 2024

The primary cause of memory loss is Alzheimer's disease (AD). Recent studies have shown that natural compounds like apple cider vinegar (ACV) anti-Alzheimer's capabilities. Essential components ACV, such as gallic acid and chlorogenic acid, may be in charge the drug's pharmacological effects. Using molecular docking dynamics (MD), current work looks at aspect ACV protects against AD. To study conformational relationships interaction mechanisms between two biological molecules (such interactions proteins drugs or proteins), MD simulation frequently used. can help understand structural differences small compounds. We used acetylcholinesterase (AChE, PDB ID: 1UT6) to acids, well currently prescribed medication rivastigmine (Standard medication). Furthermore, we determine binding affinity, which responsible for AChE inhibition. simulations were performed on docked complexes with receptor 1UT6 a 300 ns trajectory ensure stability ligand-protein complexes. results showed has highest affinity In analysis, both techniques predicted potential constituent shows similar activity when compared by virtue affinity. These findings identify key component AD-related cognitive behavioral impairments. This finding will critical development ACV-based treatment.

Language: Английский

Exploration of Professor Qin Keli’s Experience in Treating Metabolic Syndrome Based on the Method of Fractional Elimination and Drainage DOI

妍 李

Traditional Chinese Medicine, Journal Year: 2025, Volume and Issue: 14(02), P. 601 - 605

Published: Jan. 1, 2025

Language: Английский

Citations

1
Inhibitory Potency of Chlorogenic Acid from Apple Cider Vinegar Against Alzheimer’s Disease: Molecular Docking and Dynamics Validation DOI
Smriti Tripathi,

Sheikh Murtuja,

Mohd Usman Mohd Siddique

et al.

Journal of the American Nutrition Association, Journal Year: 2024, Volume and Issue: 44(3), P. 267 - 282

Published: Nov. 12, 2024

The primary cause of memory loss is Alzheimer's disease (AD). Recent studies have shown that natural compounds like apple cider vinegar (ACV) anti-Alzheimer's capabilities. Essential components ACV, such as gallic acid and chlorogenic acid, may be in charge the drug's pharmacological effects. Using molecular docking dynamics (MD), current work looks at aspect ACV protects against AD. To study conformational relationships interaction mechanisms between two biological molecules (such interactions proteins drugs or proteins), MD simulation frequently used. can help understand structural differences small compounds. We used acetylcholinesterase (AChE, PDB ID: 1UT6) to acids, well currently prescribed medication rivastigmine (Standard medication). Furthermore, we determine binding affinity, which responsible for AChE inhibition. simulations were performed on docked complexes with receptor 1UT6 a 300 ns trajectory ensure stability ligand-protein complexes. results showed has highest affinity In analysis, both techniques predicted potential constituent shows similar activity when compared by virtue affinity. These findings identify key component AD-related cognitive behavioral impairments. This finding will critical development ACV-based treatment.

Language: Английский

Citations

0