Submit Manuscript  

Article Details


Docking of Natural Products against Neurodegenerative Diseases: General Concepts

[ Vol. 21 , Issue. 3 ]

Author(s):

Frederico F. Ribeiro, Francisco J.B. Mendonca Junior, Jahan B. Ghasemi, Hamilton M. Ishiki, Marcus T. Scotti and Luciana Scotti*   Pages 152 - 160 ( 9 )

Abstract:


Background: Since antiquity, humanity has used medicinal plant preparations to cure its ills, and, as research has progressed, new technologies have enabled more investigations on natural compounds which originate from plants, fungi, and marine species. The health benefits that these natural products provide have become a motive for treatment studies of various diseases.

Objective: Among them, the neurodegenerative diseases like Alzheimer's and Parkinson's, a major age-related neurodegenerative disorder. Studies with natural products for neurodegenerative diseases (particularly through molecular docking) search for, and then focus on those ligands which offer effective inhibition of the enzymes monoamine oxidase and acetylcholinesterase.

Method: This review introduces the main concepts involved in docking studies with natural products: and also in our group, which has conducted a docking study of natural products isolated from Tetrapterys mucronata for inhibition of acetylcholinesterase.

Results: We observed that compounds 4 and 5 formed more interactions than the theoretical ligand, but that ligands with greater activity also interacted with residues HIS 381 and GLN 527.

Conclusion: We have reported on our docking study performed with AChE and alkaloids isolated from the plant Tetrapterys mucronata. Our docking results corroborate the experiments conducted, and emphasize the positive contribution that these theoretical studies involving natural products bring to the fight against neurodegenerative diseases.

Keywords:

Acetylcholinesterase, monoamine oxidase, natural products, alkaloids, docking, enzyme.

Affiliation:

Federal University of Pernambuco, Campus I, Recife-PE, Postgraduate Program in Natural Products and Synthetic Bioactive- Federal University of Paraiba, 58051-970, Campus I, Joao Pessoa-PB, Faculty of Sciences, University of Tehran, Tehran, University of Western Sao Paulo (Unoeste), Presidente Prudente, SP, Postgraduate Program in Natural Products and Synthetic Bioactive- Federal University of Paraiba, 58051-970, Campus I, Joao Pessoa-PB, Postgraduate Program in Natural Products and Synthetic Bioactive- Federal University of Paraiba, 58051-970, Campus I, Joao Pessoa-PB



Read Full-Text article