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.
Combinatorial Chemistry & High Throughput Screening
Title:Docking of Natural Products against Neurodegenerative Diseases: General Concepts
Volume: 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*
Affiliation:
- Postgraduate Program in Natural Products and Synthetic Bioactive- Federal University of Paraiba, 58051-970, Campus I, Joao Pessoa-PB,Brazil
Keywords: Acetylcholinesterase, monoamine oxidase, natural products, alkaloids, docking, enzyme.
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.
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Cite this article as:
Ribeiro F. Frederico , Mendonca Junior J.B. Francisco, Ghasemi B. Jahan , Ishiki M. Hamilton , Scotti T. Marcus and Scotti Luciana *, Docking of Natural Products against Neurodegenerative Diseases: General Concepts, Combinatorial Chemistry & High Throughput Screening 2018; 21 (3) . https://dx.doi.org/10.2174/1386207321666180313130314
DOI https://dx.doi.org/10.2174/1386207321666180313130314 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
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