Licofelone, a potent COX/5-LOX inhibitor and a novel option for treatment of neurological disorders

Razavi, Seyed Mehrad; Khayatan, Danial; Arab, Zahra Najafi; Momtaz, Saeideh; Zare, Kimia; Jafari, Razieh Mohammad; Dehpour, Ahmad Reza; Abdolghaffari, Amir Hossein

doi:10.1016/j.prostaglandins.2021.106587

Cited by 22 publications

(11 citation statements)

References 68 publications

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“…The bioactivity score was calculated as follows: active, moderately active, or inactive when bioactivity score is greater than 0, between − 0.5 and 0, or less than − 0.5, respectively. A value higher than zero indicates higher bioactivity of molecules [30]. Out of 7 selected phytocompounds, 5 compounds had positive bioactivity score towards the class of enzyme inhibitors (S3 Table ).…”

Section: Plos Onementioning

confidence: 99%

‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study

et al. 2022

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Inflammation is caused by a cascade of events, one of which is the metabolism of arachidonic acid, that begins with oxidation by the enzyme 5-lipoxygenase. 5-Lipoxygenase (5-LOX) plays an important role in the inflammation process by synthesizing leukotrienes and several lipid mediators and has emerged as a possible therapeutic target for treatment of inflammatory diseases such as asthma and rheumatoid arthritis. Most of the existing 5-LOX inhibitors are synthetic and exhibit adverse side effects. In view of this, there is need to search for an alternate source of 5-LOX inhibitor with minimal side effects. The essential oil of several species of Curcuma has received considerable attention in recent times in traditional system of medicine especially for treating various inflammatory disorders. Therefore, the present study was carried out to screen the most potential 5-LOX inhibitors from essential oil components of Curcuma species and elucidate their mechanisms of action through computational biology approaches. Twenty-three phytoconstituents derived from the essential oil of Curcuma species were docked and their predictive binding energies were calculated to select the best possible ligand for 5-LOX. The top 8 ranked compounds from docking was tested for drug-likeness properties, bioactivity score, and toxicity analysis. The phytoconstituents such as α-turmerone, β-turmerone, α-terpineol and dihydrocarveolshowed the best binding affinity with 5-LOX and displayed favorable physicochemical properties. Molecular dynamics simulation in POPC lipid bilayers was carried out to understand the intrinsic dynamics and flexibility of the 5-LOX (apo) and 5-LOX-complex (α-terpineol, α-turmerone, β-turmerone and dihydrocarveol) systems. The molecular dynamic results showed that these 4 phytoconstituents interacted stably with the 5-LOX active site residues and the important bonds that were observed in the initial ligand docked compounds did not alter during the course of simulation. In general, our integrative computational approach demonstrated that the natural compounds like α-turmerone, β-turmerone, α-terpineol, and dihydrocarveol could be considered for designing specific anti-inflammatory drugs using structure-based drug design.

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Section: Plos Onementioning

confidence: 99%

‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study

et al. 2022

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“…e inflammatory reactions are a series of well-coordinated cellular occurrences causing wound repair that can perform both deleterious and beneficial roles in repairing cutaneous layers. NSAIDs are abundantly used to manage inflammation because of their antipyretic, analgesic, anti-inflammatory, and thrombotic properties because of inhibition of cyclooxygenases 1 and 2 [20,21]. Also, NSAIDs such as ibuprofen are the first-line drugs for treating osteoarthritis, soft tissue injuries, gout, pain, and inflammatory diseases with an estimated administration of more than 30 million per day.…”

Section: Discussionmentioning

confidence: 99%

Effect of Collagen/Ibuprofen Hydrogel in Wound Healing: An In Vivo Study

Abbasi

Ashtiani

Abdolahi

et al. 2022

Advances in Materials Science and Engineering

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Background and Aim. Wound healing is a complicated physiological process to preserve skin integrity after injuries and includes the proliferative phase, hemostasis/inflammatory phase, and remodeling through extracellular, intercellular, and intracellular components synchronization. The study aimed to examine human placental collagen/ibuprofen’s effect on wound healing in an animal model. Materials and Methods. The cell viability test was performed by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) assay. In this animal study, three circular excisions were made in the back of each of the 12 rats and injected with the following groups: collagen/ibuprofen, group 1; collagen, group 2; and unfilled as the control group, group 3 for two times. The healing procedures were explored via calculating wound contraction percentage after taking photographs on days 7 and 14. Also, histopathological assessments were conducted on days 7 and 14. Results. The MTT results showed no significant cytotoxicity, and macroscopic results demonstrated that the percentage of wound contraction was 85%, 79%, and 41% in the collagen/ibuprofen, collagen, and control groups on 14th day, respectively. Histopathological assessments showed that hair follicles number, fibroblasts content, and angiogenesis in the collagen/ibuprofen were remarkably more significant than collagen and control groups. Conclusion. The collagen/ibuprofen group had significant outcomes compared with collagen and the control groups in wound healing and wound contraction. Collagen/ibuprofen hydrogel can be a potential hydrogel in accelerating wound healing.

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“…e side effects of current drugs cause to make an appropriate opportunity due to more minor toxic effects for numerous medicinal plants, which have an abundant biological function. e knowledge of using plants and plant extracts in disease prevention and treatment has been developed through continuous contact of humans with their natural environment since ancient times [2,8]. Plants are cultivated on a large scale which is a systematic method for producing plant-derived compounds.…”

Section: Introductionmentioning

confidence: 99%

Effect of Apple (Malus domestica) Stem Cells on UVB-Induced Damage Skin with Anti-Inflammatory Properties: An In Vivo Study

Khayatan

Nilforoushzadeh

Ashtiani

et al. 2022

Advances in Materials Science and Engineering

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Objective. Apple (Malusdomesticus) stem cells have beneficial effects in preventing photodamages caused by UVB responsible for inflammation in different stages of various skin disorders. This study aimed to investigate Apple stem cells’ anti-inflammatory and repairing effects on UVB-induced rat dorsal skin damage via microscopic and macroscopic analyses. Materials and Methods. Therapeutic effects of the apple stem cells (ASCs) extract were evaluated after UVB irradiation with macroscopic and microscopic studies, including pathological analysis, inflammatory cytokines measuring, and biometric studies containing investigation of thickness, density, erythema, melanin, sebum, and moisture content of epidermis and dermis layers in rat models. After biometric studies, skin samples were taken for histopathologic and biochemical analyses. Results. ASC extract could attenuate infiltration of inflammatory cells caused by UVB and ameliorate collagen regulation of the photodamaged skin. In addition, improved skin biometrics was considerable, such as reducing thickened epidermal and dermal layers compared to other rat groups. Furthermore, moisture content enhancement of the skin showed clinical advantages in treating damages and inflammation. Furthermore, TNF-α expression was downregulated after ASC application. ASC extract could treat UVB damages and indicate anti-inflammatory effects in animal models. Conclusion. The ASCs can be an appropriate candidate for treating inflammation and damages induced by UVB in clinical studies.

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Licofelone, a potent COX/5-LOX inhibitor and a novel option for treatment of neurological disorders

Cited by 22 publications

References 68 publications

‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study

‘Mechanistic insights into 5-lipoxygenase inhibition by active principles derived from essential oils of Curcuma species: Molecular docking, ADMET analysis and molecular dynamic simulation study

Effect of Collagen/Ibuprofen Hydrogel in Wound Healing: An In Vivo Study

Effect of Apple (Malus domestica) Stem Cells on UVB-Induced Damage Skin with Anti-Inflammatory Properties: An In Vivo Study

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