2021
DOI: 10.3390/pharmaceutics13091449
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3D-ALMOND-QSAR Models to Predict the Antidepressant Effect of Some Natural Compounds

Abstract: The current treatment of depression involves antidepressant synthetic drugs that have a variety of side effects. In searching for alternatives, natural compounds could represent a solution, as many studies reported that such compounds modulate the nervous system and exhibit antidepressant effects. We used bioinformatics methods to predict the antidepressant effect of ten natural compounds with neuroleptic activity, reported in the literature. For all compounds we computed their drug-likeness, absorption, distr… Show more

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Cited by 11 publications
(13 citation statements)
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“…Recent studies have shown that eucalyptol regulates the neurotransmitters in the brain. It is a compound that restores 5‐HT exocytosis (Kim et al, 2022), and molecular docking studies have shown that it can bind to both dopamine receptors D 2 and 5‐HT1A (Avram et al, 2021). Moreover, it uses the GABA (γ‐aminobutyric acid)/benzodiazepine receptor to mediate the anxiolytic effects (Dougnon & Ito, 2020).…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…Recent studies have shown that eucalyptol regulates the neurotransmitters in the brain. It is a compound that restores 5‐HT exocytosis (Kim et al, 2022), and molecular docking studies have shown that it can bind to both dopamine receptors D 2 and 5‐HT1A (Avram et al, 2021). Moreover, it uses the GABA (γ‐aminobutyric acid)/benzodiazepine receptor to mediate the anxiolytic effects (Dougnon & Ito, 2020).…”
Section: Resultsmentioning
confidence: 99%
“…Recent studies have shown that eucalyptol regulates the neurotransmitters in the brain. It is a compound that restores 5-HT exocytosis (Kim et al, 2022), and molecular docking studies have shown that it can bind to both dopamine receptors D 2 and 5-HT1A (Avram et al, 2021).…”
Section: Pharmacokinetic Studymentioning
confidence: 99%
“…Studies in the literature describe the usefulness of polyphenols and some alkaloids in the central nervous system, having a beneficial effect in a series of diseases from anxiety, depression, Alzheimer’s disease, and Parkinson’s disease. Studies suggest the neuroprotective effect of the compounds by reducing inflammation in the brain and by neutralizing oxidases [ 18 , 28 , 29 , 30 , 34 , 73 , 74 ].…”
Section: Methodsmentioning
confidence: 99%
“…The chemical structure of the compounds influences their pharmacological activity [ 80 ]. The three-dimensional arrangement of the atoms in the molecule can play an important role in the activity of the compounds both in the accessibility to the active sites and for the interaction of the drug with the targeted receptor [ 18 ]. The polar molecular surface shows the effective space occupied by the atoms of the molecule [ 81 ].…”
Section: Methodsmentioning
confidence: 99%
“…Quantitative structure–activity relationships (QSAR) investigations are a fast computational approach for predicting a compound’s biological activity from its chemical structure. QSAR techniques aid medicinal chemists in comprehending the link between hypoglycaemic action and molecular characteristics [ 110 , 111 , 112 ]. Statistical measures such as the cross-validated correlation coefficient, fitted correlation coefficient, and standard deviation of error prediction are commonly used to assess QSAR investigations [ 113 ].…”
Section: Quantitative Structure–activity Relationships (Qsar) Predicted Anti-diabetic Activitymentioning
confidence: 99%