In Silico Studies of Sesquiterpene Lactones from Vernonia amygdalina Delile on the Expression of EGFR and VEGFR as a New Anticancer Potential

Nerdy, Nerdy; Lestari, Puji; Fahdi, Firdaus; Putra, EDL; Amir, SAB; Yusuf, Fouza; Bakri, TK

doi:10.5530/pj.2022.14.13

Cited by 6 publications

(4 citation statements)

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“…Furthermore, antiproliferative activity has been reported in various cell lines, such as acute promyelocytic leukemia (APL), by inducing apoptosis through the mitochondrial pathway and causing cell cycle arrest in the G2/M phase [ 32 ], and in diffuse large B-cell lymphoma (DLBCL) cells, by enhancing apoptosis induced with TRAIL (tumor necrosis factor (TNF) related apoptosis-inducing ligand) [ 25 ]. Recently, in silico studies of various sesquiterpene lactones, including vernodalol, on the epidermal growth factor receptor (EGFR) and vascular endothelial growth factor receptor (VEGFR) showed their potential anticancer activity [ 33 ]. Recently, Sinisi et al showed that vernodalol is an activator of Nrf2 (erythroid-2 nuclear transcription factor, EC 50 = 3.2 µM), which increases the expression of the antioxidant response element-dependent gene (ARE) and therefore counteracts oxidative stress [ 26 ].…”

Section: Introductionmentioning

confidence: 99%

Luteolin and Vernodalol as Bioactive Compounds of Leaf and Root Vernonia amygdalina Extracts: Effects on α-Glucosidase, Glycation, ROS, Cell Viability, and In Silico ADMET Parameters

Djeujo,

Stablum,

Pangrazzi

et al. 2023

Pharmaceutics

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The aqueous decoctions of Vernonia amygdalina (VA) leaves and roots are widely used in traditional African medicine as an antidiabetic remedy. The amount of luteolin and vernodalol in leaf and root extracts was detected, and their role was studied regarding α-glucosidase activity, bovine serum albumin glycation (BSA), reactive oxygen species (ROS) formation, and cell viability, together with in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. Vernodalol did not affect α-glucosidase activity, whereas luteolin did. Furthermore, luteolin inhibited the formation of advanced glycation end products (AGEs) in a concentration-dependent manner, whereas vernodalol did not reduce it. Additionally, luteolin exhibited high antiradical activity, while vernodalol demonstrated a lower scavenger effect, although similar to that of ascorbic acid. Both luteolin and vernodalol inhibited HT-29 cell viability, showing a half-maximum inhibitory concentration (IC50) of 22.2 µM (−Log IC50 = 4.65 ± 0.05) and 5.7 µM (−Log IC50 = 5.24 ± 0.16), respectively. Finally, an in silico ADMET study showed that both compounds are suitable candidates as drugs, with appropriate pharmacokinetics. This research underlines for the first time the greater presence of vernodalol in VA roots compared to leaves, while luteolin is prevalent in the latter, suggesting that the former could be used as a natural source of vernodalol. Consequently, root extracts could be proposed for vernodalol-dependent antiproliferative activity, while leaf extracts could be suggested for luteolin-dependent effects, such as antioxidant and antidiabetic effects.

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Section: Introductionmentioning

confidence: 99%

Luteolin and Vernodalol as Bioactive Compounds of Leaf and Root Vernonia amygdalina Extracts: Effects on α-Glucosidase, Glycation, ROS, Cell Viability, and In Silico ADMET Parameters

Djeujo,

Stablum,

Pangrazzi

et al. 2023

Pharmaceutics

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“…Abdelgawad et al designed novel phenolic compounds as potential inhibitors of EGFR and COX-2, and obtained the compounds C4 and G4 with IC 50 of 0.9 and 0.5 µM, respectively [22]. N Nerdy et al found that sesquiterpene lactones from veronica amygdaline de le had anticarcinogenic potential by inhibiting the EGFR expression [23].…”

Section: Introductionmentioning

confidence: 99%

Screening for EGFR and AKT dual-target inhibitors

Zhang

Liu

et al. 2023

Preprint

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Epidermal growth factor EGFR is an important target for non-small cell lung (NSCL) cancer, and inhibitors of AKT protein has been used in many cancer treatments including NSCL cancer. Therefore, screening small molecular inhibitors targeting both EGFR and AKT can help for cancer treatment. In this study, we screened Traditional Chinese Medicine on Immune-Oncology (TCMIO) database for potential natural product inhibitors that can target both EGFR and AKT using ligand-based pharmacophore model, molecular docking, and MD simulations methods. The human endogenous database HMDB was also screened. It was found that TCMIO89212, TCMIO90156 and TCMIO98874 from the TCMIO database had large binding free energies with EGFR and AKT. In the HMDB database, kinetin-7-N-glucoside was found to have ability to bind to EGFR and AKT. These results may provide valuable information for further experimental studies.

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“…[13,6] The extract of dragon fruit leaves harbors a diverse array of phytochemicals, encompassing alkaloids, flavonoids, tannins, saponins, glycosides, steroids, terpenoids, and more. [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29] With its enticing deep purple colored pulp, the exotic aesthetic attributes of dragon fruit make it extremely attractive in the markets and commonly grown in countries such as Malaysia, Okinawa, Taiwan, Vietnam, China, India, Southern China and Israel. [30] CULTIVATION Mexico is the native home of the Hylocereus genus, which includes the pitaya cactus.…”

Section: Introductionmentioning

confidence: 99%

Nutrition and Therapeutic Potential of the Dragon Fruit: A Qualitative Approach

Rathi,

Singh,

Gigi

et al. 2023

Pharmacogn. Res.

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The climbing vine cactus Hylocereusundatus, which is a native of the tropical woods of Mexico, Central America, and South America, grows the fruit known as dragon fruit, also referred to as red pitaya. With a rich cultural heritage, it has been used as a traditional medicine for centuries to treat various degenerative diseases, including arthritis, arteriosclerosis, inflammation, and brain dysfunction. Moreover, dragon fruit has exhibited promising anti-bacterial and anti-microbial properties. Dragon fruit is noteworthy for its impressive antioxidant capacity, which plays a crucial role in mitigating the likelihood of chronic illnesses. Within the fruit, a wide variety of phytochemicals are present, functioning as antioxidants that counteract detrimental free radicals. This protective action serves to safeguard the body against the effects of oxidative stress. Notably, the bark of the dragon fruit exhibits an even higher concentration of bioactive compounds with potent antioxidant properties. This distinctive feature holds significant interest from both a pharmacological and nutritional standpoint, suggesting a potential source of natural antioxidants for various therapeutic applications. This comprehensive review delves into the nutritional and medicinal value of dragon fruit, highlighting its various health benefits. The fruit's nutritional composition is rich in essential vitamins, minerals, and dietary fiber, which contribute to overall well-being and support various bodily functions. Moreover, the emerging evidence of dragon fruit's medicinal properties points to its potential as a complementary approach in managing certain health conditions. The fruit's anti-inflammatory properties have been associated with mitigating chronic inflammation, and its neuroprotective effects show promise in addressing brain dysfunction. As the demand for natural remedies and functional foods increases, understanding the health-promoting properties of dragon fruit becomes even more relevant. This review aims to provide valuable insights into the potential applications of dragon fruit as a nutritional and medicinal resource, encouraging further research and exploration of its diverse health benefits. In conclusion, dragon fruit's nutritional richness and medicinal attributes make it a compelling candidate for enhancing human health and well-being. By incorporating this fruit into a balanced diet, individuals can harness its therapeutic potential and reduce the risk of chronic diseases, benefiting from nature's bountiful offerings.

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In Silico Studies of Sesquiterpene Lactones from Vernonia amygdalina Delile on the Expression of EGFR and VEGFR as a New Anticancer Potential

Cited by 6 publications

References 0 publications

Luteolin and Vernodalol as Bioactive Compounds of Leaf and Root Vernonia amygdalina Extracts: Effects on α-Glucosidase, Glycation, ROS, Cell Viability, and In Silico ADMET Parameters

Luteolin and Vernodalol as Bioactive Compounds of Leaf and Root Vernonia amygdalina Extracts: Effects on α-Glucosidase, Glycation, ROS, Cell Viability, and In Silico ADMET Parameters

Screening for EGFR and AKT dual-target inhibitors

Nutrition and Therapeutic Potential of the Dragon Fruit: A Qualitative Approach

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