An in Silico Approach Reveals the Potential Function of Cyanidin-3-o-glucoside of Red Rice in Inhibiting the Advanced Glycation End Products (AGES)-Receptor (RAGE) Signaling Pathway

Agustin, Ayu Tri; Safitri, Anna; Fatchiyah, Fatchiyah

doi:10.5455/aim.2020.28.170-179

Cited by 25 publications

(15 citation statements)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this current work, encapsulated ligands had lower binding energy than non-encapsulated ligands when interacting with the COX-2 enzyme, indicating a stronger interaction with the enzyme [20]. The binding affinity value comes from the interaction between the ligands and the target compounds and can occur from interaction within ligands and the solvent's influence during the docking process [26].…”

Section: Chemistry Bond Labelmentioning

confidence: 63%

“…As an initial study, in silico analysis, drug candidates must be applied to determine their anti-inflammatory activity [18,19 ]. In silico molecular docking demonstrates an interaction between two or more molecules in the most stable state and can be used as an initial examination in determining drug candidates based on the interaction of the proposed drug (ligands) with the drug target [20]. This study aims to determine the effect of the combination of active compounds on N. sativa and C. caudatus K. coencapsulated with chitosan and Na-TPP in inhibiting COX-i and COX-2 enzymes by in silico molecular docking to determine their anti-inflammatory activity.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

An Insight of Co-Encapsulation Nigella sativa and Cosmos caudatus Kunth Extracts as Anti-Inflammatory Agent Through In Silico Study

2021

Self Cite

View full text Add to dashboard Cite

This study analyzes anti-inflammatory activity from extracts of Nigella sativa and Cosmos caudatus Kunth co-encapsulated through in silico molecular docking. The LC-MS results revealed that extracts of N. sativa mostly contained thymoquinone and alpha-hederin, whereas quercetin and kaempferol were the major compounds in C. caudatus K. Nevertheless, the bioactive compounds are usually susceptible to degradation by exposure to light, heat, oxygen, which may limit its biological activity. Therefore, encapsulation is one of the promising techniques to protect bioactive compounds. Ligands were encapsulated with chitosan and sodium tripolyphosphate as wall materials. Cyclooxygenase-1 (COX-1) and cyclooxygenase-2 (COX-2) as the target enzymes were docked with a combination of these active compounds (non-encapsulated and encapsulated), using the HEX 8.0 program, and visualized using the Discovery studio visualizer software v16.1.0.15350. Interestingly, docking results of the combination of encapsulated ligands showed no interactions to COX-1 but interacted with COX-2. Therefore, co-encapsulation of extracts combinations has been suggested to act as anti-inflammatory agents targeted specifically to the COX-2 enzyme. The total energy of the encapsulated of combination of extract compounds to COX-2 were -1425.88 (mol/cal) for thymoquinone + quercetin; -1435.87 (mol/cal) for thymoquinone + kaempferol; 1175.97 (mol/cal) for quercetin + alpha hederin; -957.74 (mol/cal) for kaempferol + alpha hederin; and -283.3 (mol/cal) for diclofenac sodium, as a control NSAID drug. These suggest that encapsulated active compounds in N. sativa and C. caudatus K. have potency as a drug candidate for the selective NSAIDs category, which can be subjected to further in vitro and in vivo studies.

show abstract

Section: Chemistry Bond Labelmentioning

confidence: 63%

Section: Introductionmentioning

confidence: 99%

An Insight of Co-Encapsulation Nigella sativa and Cosmos caudatus Kunth Extracts as Anti-Inflammatory Agent Through In Silico Study

2021

Self Cite

View full text Add to dashboard Cite

show abstract

“…Nonetheless, pigmented rice cultivars nowadays attract great interest from researchers, nutritionists, and clinicians. Attention is currently being given to the antioxidative and radicalscavenging properties of pigmented rice cultivars because of their potential to provide and promote human health by reducing the concentration of reactive oxygen species and free radicals [1,[4][5][6].…”

Section: ■ Introductionmentioning

confidence: 99%

“…The pigmented rice cultivars include black rice, red rice, purple rice, and brown rice [6][7]. Red rice is suggested to contain various beneficial compounds for human health [5,[8][9]. The major phytochemicals of red rice include phenolics, flavonoids, pro-anthocyanidins, and anthocyanins; which are believed to have several biological functions, such as antioxidants, antidiabetics, and anticholesterol [3,[9][10].…”

Section: ■ Introductionmentioning

confidence: 99%

Profiling of Phytochemical Compounds of East Java Red Rice Bran Has the High-Value Biological Activities as Antioxidant and Antidiabetic

Dwiwibangga

Safitri²,

Fatchiyah³

2022

Indones. J. Chem.

View full text Add to dashboard Cite

The phytochemicals contained in rice bran, mainly flavonoid compounds, are predicted to have biological activity. Flavonoids are able to counteract the free radicals and degrade insulin resistance. The East Java Red Rice Bran samples, e.g., Mentik Wangi, Aek Sibundong, and Blambangan, were used in the study. Their phytochemical profiles, functional groups, antioxidant, and antidiabetic activities were investigated. The phytochemical analysis showed that the bran of Mentik Wangi, Aek Sibundong, and Blambangan contained flavonoid, triterpenoid, phenolic, tannin, and glycoside. Based on the FTIR, some functional groups were identified in three rice bran varieties, namely, the O-H stretching, C-H aliphatic, C-H sp3 stretching, C=C stretching aromatics, C=C stretching alkenes, CH2 and CH3 bonds rocking, C-H aromatic, CH-OH stretching alcohols, and C-O stretching ether or ester suggesting that rice brans are rich in phytochemical compounds. Through LC-HRMS analysis in positive ion mode, several types of flavonoids were confirmed. Pinocembrin was found in the three brands. The highest antioxidant and antidiabetic activity were observed in Blambangan rice bran with an IC50 value of 1.09 and 75.76 µg/mL, respectively. To conclude, the red rice bran phytochemical compounds exhibit potential biological activities as antioxidant and antidiabetic agents.

show abstract

“…The chemical structure of anthocyanins, such as the position and number of hydroxyl groups or methoxy group as electron donors, has a strong effect on antioxidant activity [14]. Biological function test of cyanidin-3-O-glucoside in red rice showed inhibition of Advanced Glycation End-products (AGEs)-Receptor for AGEs (RAGE), which is involved in the chronic inflammatory cascade, diabetes, and its complications [15]. Peonidin-3-O-glucoside can inhibit the tumor necrosis factor alpha (TNF-α) signaling pathway so that it has the potential to be antiinflammatory [16].…”

Section: ■ Introductionmentioning

confidence: 99%

Java Red Rice (<i>Oryza sativa</i> L.) Nutritional Value and Anthocyanin Profiles and Its Potential Role as Antioxidant and Anti-Diabetic

2021

Self Cite

View full text Add to dashboard Cite

This study investigates nutritional value, amino acid profile, and total anthocyanin in pigmented rice as an antioxidant and anti-diabetic agent. Six rice varieties were extracted using 0.1% HCl in methanol, namely four red rice, one black rice, and one white rice. Rice extract was used for proximate analysis and amino acid profiling. Total anthocyanin was measured and identified by ultraviolet-visible (UV-Vis) spectrophotometer and thin-layer chromatography (TLC). The antioxidant activity was determined using Ferric-reducing antioxidant power (FRAP) assay, and the α-amylase enzyme-inhibited by anthocyanin extract of red rice as anti-diabetic was measured. The study result showed that the proximate level (carbohydrate, protein, lipid, water, and ash) in pigmented rice was different. Cempo merah red rice is a source of amino acids, both essential and non-essential amino acids that act as good nutrition. The highest total anthocyanin level between red rice varieties of 10.87 mg/g was found in Aek sibundong red rice. High biological function activities as an antioxidant were indicated by Aek sibundong red rice with an IC50 value of 6.65 µg/mL. Aek sibundong red rice shows the lowest IC50 value of 144.46 µg/mL in anti-diabetic activity. Thus, Aek sibundong red rice may have the potential as α-amylase inhibitor for diabetes prevention.

show abstract

An in Silico Approach Reveals the Potential Function of Cyanidin-3-o-glucoside of Red Rice in Inhibiting the Advanced Glycation End Products (AGES)-Receptor (RAGE) Signaling Pathway

Cited by 25 publications

References 29 publications

An Insight of Co-Encapsulation Nigella sativa and Cosmos caudatus Kunth Extracts as Anti-Inflammatory Agent Through In Silico Study

An Insight of Co-Encapsulation Nigella sativa and Cosmos caudatus Kunth Extracts as Anti-Inflammatory Agent Through In Silico Study

Profiling of Phytochemical Compounds of East Java Red Rice Bran Has the High-Value Biological Activities as Antioxidant and Antidiabetic

Java Red Rice (<i>Oryza sativa</i> L.) Nutritional Value and Anthocyanin Profiles and Its Potential Role as Antioxidant and Anti-Diabetic

Contact Info

Product

Resources

About