Molecular docking and analgesic studies of Erythrina variegata’s derived phytochemicals with COX enzymes

Uddin, Mir Muhammad Nasir; Emran, Talha Bin; Mahib, Muhammad Mamunur Rashid; Dash, Raju

doi:10.6026/97320630010630

Cited by 16 publications

(8 citation statements)

References 34 publications

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“…A similar effect on LPS-induced NO production in RAW264.7 cells was observed by Namkoong et al (2011) with an IC 50 value of 15.97 µM. In GOLD docking fitness, AIF displayed a fitness score of 35.42 against cyclooxygenase (COX)-2, an inducible enzyme only expressed after an inflammatory stimulus (Uddin et al, 2014). Four hours after administration, AIF (25 mg/kg i.p.)…”

Section: Pharmacological Activitiesmentioning

confidence: 64%

A Pharmacological Overview of Alpinumisoflavone, a Natural Prenylated Isoflavonoid

et al. 2019

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Over the last decade, several studies demonstrated that prenylation of flavonoids enhances various biological activities as compared to the respective nonprenylated compounds. In line with this, the natural prenylated isoflavonoid alpinumisoflavone (AIF) has been explored for a number of biological and pharmacological effects (therapeutic potential). In this review, we summarize the current information on health-promoting properties of AIF. Reported data evidenced that AIF has a multitherapeutic potential with antiosteoporotic, antioxidant and anti-inflammatory, antimicrobial, anticancer, estrogenic and antiestrogenic, antidiabetic, and neuroprotective properties. However, research on these aspects of AIF is not sufficient and needs to be reevaluated using more appropriate methods and methodology. Further series of studies are needed to confirm these pharmacological effects, and this review should lay the basis for the design of respective investigations. Overall, despite the drawbacks of studies recorded, AIF exhibits a potential as drug candidate.

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Section: Pharmacological Activitiesmentioning

confidence: 64%

A Pharmacological Overview of Alpinumisoflavone, a Natural Prenylated Isoflavonoid

et al. 2019

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“…Table 2 shows preclinical studies on the analgesic and anti-inflammatory effect of species of the genus Erythrina genus. E. variegate was the most studied species, both for its analgesic and anti-inflammatory effect [ 36 , 37 , 38 , 39 , 40 ], followed by E. velutina and E. mulungu [ 41 , 42 , 43 ]. Mostly, high polarity solvents (ethanol, water, and methanol) were used to obtain the extracts.…”

Section: Preclinical Studies Of Pain and Inflammation From The Genmentioning

confidence: 99%

“…Among the compounds responsible for these activities, Eryvarin H, Abyssinone V, mildbone, mildbenone, 7,3′-dihydroxy-4′-methoxy-5′-(3 methylbut-2-enyl)flavanone, erylivingstone H, 7,3′,4′-trihydroxyflavanone, trans-3,4,2′,4′-tetrahydroxychalcone, Eryvarin J and erycrisagallin [ 46 , 55 , 65 , 68 , 73 , 74 , 75 ]. Flexible molecular docking on heme oxygenase, an important stress protein that is involved in cellular protection, antioxidant and anti-inflammatory activities, showed with 2″-O-galloyl orientin forming four binding interactions with residues, Arg 136 (two interactions), Met34 and Gly139 [ 39 ]. On the other hand, it has been reported that the compound abyssinone V increases oxidative stress and reduces stress resistance in the Caenorhabditis elegans model [ 76 ].…”

Section: Radical Scavenging Activity In the Model In Vitro Systemsmentioning

confidence: 99%

Promising Antioxidant Activity of Erythrina Genus: An Alternative Treatment for Inflammatory Pain?

Cabrera

Bautista

Velázquez

et al. 2020

IJMS

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The negative impact that oxidative stress has on health is currently known. The complex mechanism of free radicals initiates a series of chain reactions that contribute to the evolution or development of different degenerative disorders. Likewise, these disorders are usually accompanied by inflammatory processes and, therefore, pain. In this sense, reactive oxygen species (ROS) have been shown to promote the nociceptive process, but effective treatment of pain and inflammation still represents a challenge. Over time, it has been learned that there is no single way to relieve pain, and as long as there are no other alternatives, the trend will continue to apply multidisciplinary management, such as promote the traditional use of the Erythrina genus to manage pain and inflammation. In this sense, the Erythrina genus produces a wide range of secondary metabolites, including flavanones, isoflavones, isoflavones, and pterocarpans; these compounds are characterized by their antioxidant activity. Phenolic compounds have demonstrated their ability to suppress pro-oxidants and inhibit inflammatory signaling pathways such as MAPK, AP1, and NFκB. Although there is preclinical evidence supporting its use, the pharmacological effect mechanisms are not entirely clear. Nowadays, there is a fast advancement in knowledge of the disciplines related to drug discovery, but most of nature’s medicinal potential has not yet been harnessed. This review analyzes the decisive role that the Erythrina genus could play in managing inflammatory pain mediated by its compounds and its uses as an antioxidant.

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“…6,[8][9][10][11][12][13][14] Currently, many studies have isolated flavonoids from E. variegata with isoflavonoids reported as the primary constituents among prenyl isoflavones, flavan-3-ols, flavonols with sugar moieties, and triterpenoids. [15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32] Given its rich chemical composition, several studies have investigated the plant's biological activities, such as antibacterial effects, 22,[33][34][35] antioxidant activity, 5,36 pain relief, antiinflammatory effects, [36][37][38][39] cardiovascular effects, 40 anticonvulsant effects, and anxiolytic effects. 3,5,8,[41][42][43][44] However, there is limited research on the antidiabetic effects of this plant.…”

Section: Introductionmentioning

confidence: 99%

Potential protein tyrosine phosphatase 1B and α-glucosidase inhibitory flavonoids from Erythrina variegata: Experimental and computational results

Nguyen,

Trinh,

et al. 2024

Journal of Chemical Research

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Erythrina variegata L., a member of the Fabaceae family, is a valuable medicinal plant with a rich history of traditional medicinal uses. However, its potential as an antidiabetic agent has remained largely unexplored. In this study, three isoflavonoid compounds, namely eryvarin M (1), eryvarin H (2), and neobavaisoflavone (3), were isolated from E. variegata. These compounds displayed significant inhibitory effects on both protein tyrosine phosphatase 1B and α-glucosidase enzymes. The specific attachment position of the prenyl group to the isoflavonoid skeleton plays a pivotal role in determining the variation in their activity. Moreover, the results obtained from docking simulations corroborate the experimental findings, confirming the robust binding affinities of these metabolites toward the target proteins. The docking analysis further highlights that these compounds exhibit highly negative values of binding-free energies against proteins, indicative of their favorable binding affinities. In addition, the formation of hydrogen bonds in the binding region contributes to their binding interactions. These findings significantly enhance our understanding of the therapeutic potential of both E. variegata and its isoflavonoids as potential inhibitors for diabetes and related metabolic disorders, shedding light on their promising role in the field of diabetes research.

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Molecular docking and analgesic studies of Erythrina variegata’s derived phytochemicals with COX enzymes

Cited by 16 publications

References 34 publications

A Pharmacological Overview of Alpinumisoflavone, a Natural Prenylated Isoflavonoid

A Pharmacological Overview of Alpinumisoflavone, a Natural Prenylated Isoflavonoid

Promising Antioxidant Activity of Erythrina Genus: An Alternative Treatment for Inflammatory Pain?

Potential protein tyrosine phosphatase 1B and α-glucosidase inhibitory flavonoids from Erythrina variegata: Experimental and computational results

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