Deeper Insights on Cnesmone javanica Blume Leaves Extract: Chemical Profiles, Biological Attributes, Network Pharmacology and Molecular Docking

Abstract

This study assessed the anxiolytic and antidepressant activities of a methanol leaves extract of Cnesmone javanica (CV) in Swiss albino mice. The study found a significant increase in the percentage of time spent in the open arms of an elevated plus maze and in the incidence of head dipping in hole-board tests following the administration of 400 mg/kg of CV or 1 mg/kg diazepam. Moreover, a significant (p < 0.001) dose-dependent reduction was observed in the immobility time following CV (200 and 400 mg/kg) and fluoxetine (20 mg/kg) administration for forced swimming and tail suspension tests. Gas chromatography–mass spectroscopy (GC–MS) analysis identified 62 compounds in CV, consisting primarily of phenols, terpenoids, esters, and other organic compounds. A molecular docking study was performed to assess the anxiolytic and antidepressant effects of 45 selected compounds against human serotonin transporter and potassium channels receptors. Network pharmacology was performed to predict the pathways involved in these neuropharmacological effects. Overall, CV demonstrated significant and dose-dependent anxiolytic and antidepressant effects due to the presence of several bioactive phytoconstituents, which should be further explored using more advanced and in-depth mechanistic research.

Biochemical and Pharmacological aspects of Ganoderma lucidum: Exponent from the in vivo and computational investigations

“…As tyrosine acts as a precursor for neurotransmitters such as dopamine, epinephrine, and noradrenaline, this residue is considered to be associated with fear suppression. Additionally, lysine was reported to be involved in anxiety reduction in humans [ 57 ]. The identified pharmacological properties were correlated with the computational analysis via molecular docking of G. lucidum phenolic compounds towards various receptors.…”

Network Pharmacology- and Molecular Docking-Based Identification of Potential Phytocompounds from Argyreia capitiformis in the Treatment of Inflammation

“…Finally, by comparing the spectra against the NIST 2008 database (National Institute of Standard and Technology library), tentative compounds were identified. The total analysis time required for the sample was 65 min [ 27 ].…”

“…The network pharmacology analysis was performed using the STITCH platform ( http://stitch.embl.de/ ) to identify putative associations between the identified compounds and target genes. Multiple compound targets were identified using the Homo sapiens genome [ 27 – 29 ]. Multiple functional nodes and edges were identified in the network.…”

“…Protein structures were retrieved in .pdb format from the Protein Data Bank ( http://www.rcsb.org/pdb ). The proteins were prepared using Schrödinger (Maestro v11.1), utilizing the force field OPLS3 [ 27 ].…”

Exploring the Antiglioma Mechanisms of Luteolin Based on Network Pharmacology and Experimental Verification

“…Molecular docking has been proven to be an efficient tool for the discovery of novel drugs and the identification of small molecules that bind to target proteins based on structural molecular biology data [ 28 , 29 ]. A total of six core targets were included in the molecular docking simulation, including AKT1, JUN, ALB, MAPK3, MAPK1, and TNF.…”