Bioactive Flavonoids from the Stem Bark of &lt;em&gt;Cordia dichotoma&lt;/em&gt; Forst.: Identification, Docking and ADMET Studies

Hussain, N.; Bb, Kakoti; Rudrapal, Mithun; Kk, Sarwa; Çeli̇k, İsmail; Ei, Attah; Sj, Khairnar; Bhattacharya, Sanjib; Rk, Sahoo

doi:10.20944/preprints202105.0171.v1

Cited by 4 publications

(1 citation statement)

References 15 publications

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“…The PDB structured proteins were transformed to the pdbqt format utilizing Autodock. Ten distinct poses of the ligand molecules were acquired after docking with target proteins (x, y, z = 34.55, 56.37, 23.86) by employing AutoDock Vina's standard settings (34)(35)(36)(37)(38)(39). The Biovia Discovery Studio was chosen to illustrate ligand-protein interactions (40)(41)(42)(43)(44)(45)(46)(47).…”

Section: Molecular Dockingmentioning

confidence: 99%

Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: investigation of antikindling and antioxidant activities through in silico and in vivo studies

Baru Venkata,

Prasanth,

Pasala

et al. 2023

Front. Nutr.

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To valorise the bioactive constituents abundant in leaves and other parts of medicinal plants with the objective to minimize the plant-based wastes, this study was undertaken. The main bioactive constituent of Andrographis paniculata, an Asian medicinal plant, is andrographolide (AG, a diterpenoid), which has shown promising results in the treatment of neurodegenerative illnesses. Continuous electrical activity in the brain is a hallmark of the abnormal neurological conditions such as epilepsy (EY). This can lead to neurological sequelae. In this study, we used GSE28674 as a microarray expression profiling dataset to identify DEGs associated with andrographolide and those with fold changes >1 and p-value <0.05 GEO2R. We obtained eight DEG datasets (two up and six down). There was marked enrichment under various Kyoto Encyclopaedia of Genes and Genomes (KEGG) and Gene Ontology (GO) terms for these DEGs (DUSP10, FN1, AR, PRKCE, CA12, RBP4, GABRG2, and GABRA2). Synaptic vesicles and plasma membranes were the predominant sites of DEG expression. AG acts as an antiepileptic agent by upregulating GABA levels. The low bioavailability of AG is a significant limitation of its application. To control these limitations, andrographolide nanoparticles (AGNPs) were prepared and their neuroprotective effect against pentylenetetrazol (PTZ)-induced kindling epilepsy was investigated using network pharmacology (NP) and docking studies to evaluate the antiepileptic multi-target mechanisms of AG. Andrographolide is associated with eight targets in the treatment of epilepsy. Nicotine addiction, GABAergic synapse, and morphine addiction were mainly related to epilepsy, according to KEGG pathway enrichment analysis (p < 0.05). A docking study showed that andrographolide interacted with the key targets. AG regulates epilepsy and exerts its therapeutic effects by stimulating GABA production. Rats received 80 mg/kg body weight of AG and AGNP, phenytoin and PTZ (30 mg/kg i.p. injection on alternate days), brain MDA, SOD, GSH, GABAand histological changes of hippocampus and cortex were observed. PTZ injected rats showed significantly (***p < 0.001) increased kindling behavior, increased MDA, decreased GSH, SOD, GABA activities, compared with normal rats, while treatment AGNPs significantly reduced kindling score and reversed oxidative damage. Finally, we conclude that the leaves and roots of A. Paniculata can be effectively utilized for its major bioactive constituent, andrographolide as a potent anti-epileptic agent. Furthermore, the findings of novel nanotherapeutic approach claim that nano-andrographolide can be successfully in the management of kindling seizures and neurodegenerative disorders.

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Section: Molecular Dockingmentioning

confidence: 99%

Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: investigation of antikindling and antioxidant activities through in silico and in vivo studies

Baru Venkata,

Prasanth,

Pasala

et al. 2023

Front. Nutr.

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A Comprehensive Review on Ethnopharmacology and Phytochemistry of an Underutilized Plant Cordia dichotoma L.

Abdullah

Usmani

Kushwaha

2022

CNF

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Cordia dichotoma L. (Family Boraginaceae), a well-known medicinal plant, has been traditionally used for thousands of years for the treatment of various diseases. Several studies have been undertaken to assess the pharmacological potential of different parts of the plant, namely roots, stem, flower, and leaves, for their antioxidant, antimicrobial, hepatoprotective, antidiabetic, anticancer, antifertility, antifungal, and wound healing properties. The present review aims to deliver a comprehensive summary of botany, traditional uses, phytochemistry, and prospects of potential pharmacological activities of the plant C. dichotoma. A literature survey was carried out through books on herbal medicine and different online databases, including Google Scholar, PubMed, Scopus, Scifinder, Science Direct, and Springer. All papers based on traditional medicinal uses and pharmacological properties have been analyzed and summarized in this review. The elaborative results vindicate that extracts and phytoconstituents from C. dichotoma exert a wide spectrum of pharmacological effects and hold significant prospects in major health conditions.

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Synthesis of Flavonoids or Other Nature-Inspired Small Molecules

Ribaudo

2022

Molbank

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Bioactive Flavonoids from the Stem Bark of <em>Cordia dichotoma</em> Forst.: Identification, Docking and ADMET Studies

Cited by 4 publications

References 15 publications

Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: investigation of antikindling and antioxidant activities through in silico and in vivo studies

Utilizing Andrographis paniculata leaves and roots by effective usage of the bioactive andrographolide and its nanodelivery: investigation of antikindling and antioxidant activities through in silico and in vivo studies

A Comprehensive Review on Ethnopharmacology and Phytochemistry of an Underutilized Plant Cordia dichotoma L.

Synthesis of Flavonoids or Other Nature-Inspired Small Molecules

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