In silico Docking Analysis of Active Biomolecules from Cissus quadrangularis L. against PPARG

Patil, Vishal S.; Biradar, Prakash R.; Attar, Vasim; Khanal, Pukar

doi:10.5530/ijper.53.3s.103

Cited by 20 publications

(12 citation statements)

References 12 publications

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“…Previous studies utilized the in silico molecular docking to identify the hit molecules from multiple traditional medicines. [32][33][34][35][36] Similarly, in the present study quercetin and luteolin were predicted as hit molecules to have the highest binding affinity with ADORA1. Further, the druglikeness score of each phytoconstituent including their derivatives was also predicted.…”

Section: Docking Studysupporting

confidence: 61%

Mimosa pudica Modulates Neuroactive Ligand- Receptor Interaction in Parkinson’s Disease

Duyu¹,

Khanal²,

Khatib³

et al. 2020

IJPER

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Introduction: Mimosa pudica is scientifically reported for the enhancement of memory in multiple animal models including Parkinson's disease (PD); however, the probable molecular mechanism for this effect has not been explained yet. The present study demonstrates the probable molecular mechanism to improve memory via in silico techniques. Materials and Methods: Phytoconstituents present in M. pudica and their targets involved in Parkinson's disease were identified using open-source databases and published literature. Enrichment analysis of targeted proteins was identified using STRING, druglikeness of compounds was assessed using MolSoft and docking was carried using autodock4. Results: Out of twenty-seven phytoconstituents, seventeen modulated the proteins involved in the pathogenesis of PD. Norepinephrine was predicted to have the highest druglikeness score. The ADMET profiles revealed all phytoconstituents to be safe and are suitable for human consumption. Similarly, network analysis identified ADORA1 to be primarily targeted by phytoconstituents and luteolin was predicted to interact with maximum proteins. A docking study predicted quercetin and luteolin to possess the highest binding affinity with highly modulated protein ADORA1. Conclusion: M. pudica could primarily modulate neuroactive ligand receptor interaction followed by dopamine and serotonin synapses by regulating multiple proteins in PD.

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Section: Docking Studysupporting

confidence: 61%

Mimosa pudica Modulates Neuroactive Ligand- Receptor Interaction in Parkinson’s Disease

Duyu¹,

Khanal²,

Khatib³

et al. 2020

IJPER

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“…India is a gold mine for traditional medicine, which are having less side effects and having different phytoconstituents with mechanism of action. Bene cial effects of traditional medicines in the management of infectious and non-infectious diseases is also reported via in silico and in vitro approaches (Khanal et al 2019 a,b ; Khanal et al 2020 a-e ; Rodrigues 2020 a,b ; Patil et al 2019;Ternikar et al 2020). Previous report also reported the probable action against memory defect for traditional medicine using multiple approaches reporting the acetylcholinestrase activity of folk medicine (Duyu et al 2020).…”

Section: Introductionmentioning

confidence: 97%

Pharmacological evaluation of Salvadora persica on scopolamine-induced memory disorder

Biradar

Attar

2020

Preprint

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Background: Salvadora persica root has been reported for various pharmacological activities and it can also be used for memory sharpening.Aim and Objective: The aim of the present study is to evaluate the effect of Salvadora persica root extract on scopolamine induced amnesia in ratsMaterials and Methods: The evaluation of Salvadora persica (S. persica) on scopolamine induced memory impairment was carried out using scopolamine 3mg/kg p.o for 7 days followed by treatment with Donepezil (3mg/kg) and S. persica root extract (250, 500, 1000 mg/kg) for 21 days; assessed by in vivo and in vitro studies. In vivo models Elevated Plus Maze (EPM), Morris Water Maze (MWM) and Passive Avoidance Paradigm (PA) was used for assessment of Transfer Latency (TL), Escape Latency (EL) and Step Through Latency (STL). In vitro studies on rat cerebral cortex and hippocampus AChE enzyme estimation, estimation of reduced glutathione, GSH and histopathological studies. Results: Treated animals shown increased STL whereas decreased TL and EL. In vitro studies of brain and parts of the brain showed decreased AChE enzyme activity in hippocampus and cerebral cortex, increased level of reduced glutathione level and reduced MDA levels. Considerable histopathological changes were seen in treated rat brain, specially in CA1 and CA3 neural intact in hippocampus region.Conclusion: Present study describes attenuation action of S. persica on memory impairment induced by scopolamine may be due to increase in Acetylcholine (ACh) level in brain by inhibiting AChE enzyme and antioxidant property of S. persica. Histopathological changes are seen in scopolamine treated rats and treatment rats.

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“…A docking study provides a better idea of how the compound (ligand) may bind with the desired receptor [25] . If the compound has a good binding affinity with the receptor to show pharmacological action clinically, this study may add weightage to preclinical studies and may provide confirmation of therapeutic response.…”

Section: Discussionmentioning

confidence: 99%

Identification of PTPN1B inhibitors from Momordica charantia and their enrichment analysis

Dwivedi¹,

Rasal²

2020

J Phytopharmacol

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Background: PTPN1B is identified to play a prime role in a negative role in the insulin signaling pathway which can be inhibited and could contribute to the enhancement of insulin function. Objective: The present study aimed to identify PTPN 1B inhibitors from Momordica charantia and perform gene set enrichment analysis of regulated protein molecules. Methods: The phytoconstituents present in Momordica charantia were identified and queried for PTPN1B inhibitors. Druglikeness score, side effects and gene expression were predicted for each compound. A docking study was performed to predict the binding affinity with PTPN1B receptor; later the binding affinities were compared. Kyoto Encyclopedia of Genes and Genomes pathway analysis was performed for the regulated genes to identify the modulated pathways. Results: Among the forty-four identified compounds present in Momordica charantia thirtythree compounds were found to inhibit PTPN 1B. Momordin I possessed the highest binding affinity with PTPN1B. Cytokine-cytokine receptor pathway was predicted to modulate the most amounts of protein molecules in diabetes mellitus. The side effects of these compounds were also estimated and only three compounds showed side effects when Pa≥0.7. Conclusion: The present study indicates that PTPN 1B inhibitors from Momordica charantia have their anti-diabetic action due to their action on multiple protein molecules and the synergistic effect can be confirmed by future investigations.

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In silico Docking Analysis of Active Biomolecules from Cissus quadrangularis L. against PPARG

Cited by 20 publications

References 12 publications

Mimosa pudica Modulates Neuroactive Ligand- Receptor Interaction in Parkinson’s Disease

Mimosa pudica Modulates Neuroactive Ligand- Receptor Interaction in Parkinson’s Disease

Pharmacological evaluation of Salvadora persica on scopolamine-induced memory disorder

Identification of PTPN1B inhibitors from Momordica charantia and their enrichment analysis

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