Recent Advances in Plant Derived Anti-inflammatory Compounds

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Natural Products".

Deadline for manuscript submissions: closed (20 March 2024) | Viewed by 1469

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Genetics Department, Ribeirão Preto Medical School, University of São Paulo (FMRP/USP), Ribeirão Preto 14049-900, SP, Brazil
Interests: propolis; honey; Apis mellifera; Africanized bee; bee pathology; Varroa destructor; CCD (colony collapse disorder); bee nutrition
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Dear Colleagues,

Chronic inflammation is involved in the disease process of many conditions, including Alzheimer's disease, cancer, heart disease, arthritis, diabetes, and neurodegenerative diseases. Fortunately, many plant-derived compounds possess anti-inflammatory properties. Some well-known classes of plant-derived compounds with anti-inflammatory activity include polyphenols, terpenoids, and alkaloids. These compounds affect key molecules involved in the inflammatory response. For instance, curcumin, a bright yellow spice, inhibits nuclear factor-kappa, a regulator of inflammation. Resveratrol, found in grapes and red wine, can suppress pro-inflammatory cytokines. Many plant-derived compounds, including quercetin from onions and citrus fruits, as well as epigallocatechin gallate in green tea, also counteract oxidative stress—a common trigger of chronic inflammation. Plant-derived compounds, such as dietary fibers and prebiotics found in fruits, vegetables, and whole grains, influence the composition and activity of gut bacteria, modulating inflammation by promoting a healthy gut environment. Additionally, the Mediterranean diet, rich in plant-derived compounds like olive oil and vegetables, has been linked to a decreased risk of inflammatory diseases. Propolis, a natural product bees make from resins and other bioactive plant materials, blocks proinflammatory PAK1, a kinase highly expressed in COVID19 patients, and has been shown to reduce the impact of this disease. Continued research on bioactive plant compounds can help provide accessible and safe solutions for chronic inflammation. 

Dr. David De Jong
Guest Editor

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20 pages, 5618 KiB  
Article
Computational Molecular Docking and Simulation-Based Assessment of Anti-Inflammatory Properties of Nyctanthes arbor-tristis Linn Phytochemicals
by Varish Ahmad, Mohammad Imran Khan, Qazi Mohammad Sajid Jamal, Faisal A. Alzahrani and Raed Albiheyri
Pharmaceuticals 2024, 17(1), 18; https://doi.org/10.3390/ph17010018 - 22 Dec 2023
Cited by 1 | Viewed by 1185
Abstract
The leaves, flowers, seeds, and bark of the Nyctanthes arbor-tristis Linn plant have been pharmacologically evaluated to signify the medicinal importance traditionally described for various ailments. We evaluated the anti-inflammatory potentials of 26 natural compounds using AutoDock 4.2 and Molecular Dynamics (MDS) performed [...] Read more.
The leaves, flowers, seeds, and bark of the Nyctanthes arbor-tristis Linn plant have been pharmacologically evaluated to signify the medicinal importance traditionally described for various ailments. We evaluated the anti-inflammatory potentials of 26 natural compounds using AutoDock 4.2 and Molecular Dynamics (MDS) performed with the GROMACS tool. SwissADME evaluated ADME (adsorption, distribution, metabolism, and excretion) parameters. Arb_E and Beta-sito, natural compounds of the plant, showed significant levels of binding affinity against COX-1, COX-2, PDE4, PDE7, IL-17A, IL-17D, TNF-α, IL-1β, prostaglandin E2, and prostaglandin F synthase. The control drug celecoxib exhibited a binding energy of −9.29 kcal/mol, and among the tested compounds, Arb_E was the most significant (docking energy: −10.26 kcal/mol). Beta_sito was also observed with high and considerable docking energy of −8.86 kcal/mol with the COX-2 receptor. COX-2 simulation in the presence of Arb_E and control drug celecoxib, RMSD ranged from 0.15 to 0.25 nm, showing stability until the end of the simulation. Also, MM-PBSA analysis showed that Arb_E bound to COX-2 exhibited the lowest binding energy of −277.602 kJ/mol. Arb_E and Beta_sito showed interesting ADME physico-chemical and drug-like characteristics with significant drug-like effects. Therefore, the studied natural compounds could be potential anti-inflammatory molecules and need further in vitro/in vivo experimentation to develop novel anti-inflammatory drugs. Full article
(This article belongs to the Special Issue Recent Advances in Plant Derived Anti-inflammatory Compounds)
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