Exploring the potential molecular targets of hydroxymethylbutyrate and glucosamine fortified whey protein drink to modulate sarcopenia and Alzheimer's disease by in silico and in vitro studies DOI Creative Commons
Fahrul Nurkolis, Vincent Lau, Trina Ekawati Tallei

и другие.

Journal of Agriculture and Food Research, Год журнала: 2024, Номер 18, С. 101495 - 101495

Опубликована: Ноя. 6, 2024

Язык: Английский

Revealing Novel Source of Breast Cancer Inhibitors from Seagrass Enhalus acoroides: In Silico and In Vitro Studies DOI Creative Commons
Yan Wisnu Prajoko, Faqrizal Ria Qhabibi,

Timothy Sahala Gerardo

и другие.

Molecules, Год журнала: 2024, Номер 29(5), С. 1082 - 1082

Опубликована: Фев. 29, 2024

Enhalus arcoides is a highly beneficial type of seagrass. Prior studies have presented proof the bioactivity E. acoroides, suggesting its potential to combat cancer. Therefore, this study aims delve deeper into acoroides bioactive molecule profiles and their direct biological anticancer activities potentials through combination in-silico in-vitro studies. This conducted metabolite profile analysis on utilizing HPLC-ESI-HRMS/MS analysis. Two extraction techniques, ethanol hexane, were employed for process. Furthermore, was using molecular docking simulations HER2, EGFR tyrosine kinase HIF-1α protein receptor. Afterward, antioxidant activity metabolites examined ABTS, antiproliferative tested an MTT assay. An revealed ability breast cancer by inhibiting HER2/EGFR/HIF-1α pathway docking. In addition, assay demonstrated that higher dosages from increased effectiveness toxicity against cell lines. Additionally, possess function as potent antioxidants, effectively series carcinogenic mechanisms. Ultimately, showed new approach unveiling metabolites’ receptors, with great cytotoxicity property prevent cascade.

Язык: Английский

Процитировано

5

Coffee Silverskin Phytocompounds as a Novel Anti-Aging Functional Food: A Pharmacoinformatic Approach Combined with In Vitro Study DOI Creative Commons

Clarin Hayes,

Fahrul Nurkolis, Dewa Ayu Agus Sri Laksemi

и другие.

Molecules, Год журнала: 2023, Номер 28(20), С. 7037 - 7037

Опубликована: Окт. 11, 2023

Coffee became a beverage that was in demand the world and consequently produced millions of tons coffee byproducts namely silverskin (CS). Unutilized CS will be waste cause environmental pollution such as greenhouse gas emissions, landfill waste, groundwater contamination. This is research concern at this time, although many studies have been conducted to find newer applications CS, exploration its benefits health sector still limited. Therefore, exploring prevent or delay aging very interesting develop functional food industry technology. study aims report profiling metabolites phytochemicals, biological activities terms antioxidant activity, potential anti-aging via molecular docking simulation vitro modulation mTOR/AMPK/SIRT1 pathway. Something new has obtained from work, profile phytocompounds, both studies. Some compounds observed Robusta extract (rCSE) Epicatechin, Kaempferol, Quercitrin, Arabica (aCSE) (+)-Catechin dan Naringin promising inhibitors iNOS, mTOR, HIF-1α simulation. Interestingly, activity assay rCSE showed same results More interestingly, AMPK/SIRT1/mTOR expressions are well modulated by compared aCSE significantly (p < 0.05). makes candidate for development and/or treatment agent combating free radicals process. In vivo human trials certainly needed see further efficacy future.

Язык: Английский

Процитировано

11

Pharmacoinformatics and cellular studies of algal peptides as functional molecules to modulate type-2 diabetes markers DOI Creative Commons
Rudy Kurniawan, Nurpudji Astuti Taslim,

Hardinsyah Hardinsyah

и другие.

Future Foods, Год журнала: 2024, Номер 9, С. 100354 - 100354

Опубликована: Апрель 23, 2024

Novel dietary strategies are urgently needed to address the limitations of current management and treatment options Type-2 Diabetes (T2D). Marine algae-derived peptides (MAP) represent a promising avenue, although, their potential remains mostly underexplored. This study employs pharmacoinformatics in vitro methods evaluate antidiabetic properties MAP provide new insights mechanisms mitigate prevalence T2D. Through systematic search predictive modeling, were identified assessed for bioactivity, toxicity, drug-likeness. Furthermore, molecular docking simulations with protein targets related T2D binding sites that be used optimize activity MAP. The structure-activity relationship profile reveals 13 candidates probable (Pa) scores >0.4, indicative insulin promoter. peptide FDGIP (P13;Phe-Asp-Gly-Ile-Pro) from Caulerpa lentillifera had best silico assessment value compared 50 other its was confirmed by data (e.g.EC50 60.4 57.9 α-amylase α-glucosidase inhibitions). Interestingly, 3T3-L1 cells, P13 exhibited inhibitory activities against transcription factors hormones (MAPK8-JNK1/PPARGC1A/Ghrelin/GLP-1/CPT-1) can regulate blood sugar decrease as anti-diabetes. then appears action may formulation foods manage

Язык: Английский

Процитировано

4

A brief review on aging and its combination with bibliometric analysis on cellular senescence elimination as part of anti aging strategies DOI
Indah Hartati, Vita Paramita,

Farikha Maharani

и другие.

AIP conference proceedings, Год журнала: 2025, Номер 3250, С. 030004 - 030004

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0

A Comparative Analysis on Impact of Extraction Methods on Carotenoids Composition, Antioxidants, Antidiabetes, and Antiobesity Properties in Seagrass Enhalus acoroides: In Silico and In Vitro Study DOI Creative Commons
Raymond R. Tjandrawinata, Fahrul Nurkolis

Marine Drugs, Год журнала: 2024, Номер 22(8), С. 365 - 365

Опубликована: Авг. 12, 2024

Enhalus acoroides, a tropical seagrass, is known for its significant contribution to marine ecosystems and potential health benefits due bioactive compounds. This study aims compare the carotenoid levels in E. acoroides using green extraction via ultrasound-assisted (UAE) microwave-assisted (MAE) evaluate biological properties of these extracts against oxidative stress, diabetes, obesity through silico vitro analyses. samples were collected from Manado City, Indonesia, subjected UAE MAE. The analyzed UHPLC-ESI-MS/MS identify carotenoids, including β-carotene, lutein, lycopene, β-cryptoxanthin, zeaxanthin. In analysis was conducted predict compounds’ bioactivity, toxicity, drug-likeness WAY2DRUG PASS molecular docking with CB-Dock2. compounds C3, C4, C7 demonstrated notable interactions, key metabolic proteins microRNAs, further validating their therapeutic benefits. assays evaluated antioxidant activities DPPH FRAP assays, antidiabetic α-glucosidase α-amylase inhibition, antiobesity effects lipase inhibition MTT assay 3T3-L1 cells. Results indicated that both MAE exhibited antioxidant, antidiabetic, activities. showed higher content greater activity compared extracts. These findings suggest mainly when extracted MAE, has promising as source natural developing marine-based agents. supplements existing literature by providing insights into efficient methods carotenoids.

Язык: Английский

Процитировано

3

Identification of Anti-Inflammatory Compounds from Peucedanum praeruptorum Roots by Using Nitric Oxide-Producing Rat Hepatocytes Stimulated by Interleukin 1β DOI Creative Commons

H. Ozaki,

Yuto Nishidono,

Airi Fujii

и другие.

Molecules, Год журнала: 2023, Номер 28(13), С. 5076 - 5076

Опубликована: Июнь 28, 2023

The roots of Peucedanum praeruptorum Dunn and Angelica decursiva Franchet et Savatier are designated Zenko, which is a crude drug defined by the Japanese Pharmacopoeia. This used as an antitussive expectorant included in Kampo formula Jinsoin, improves cough, fever, headache. Although anti-inflammatory effects this have been determined, constituents responsible for effect remain unknown. To investigate biologically active compounds, rat hepatocytes were used, produce proinflammatory mediator nitric oxide (NO) response to cytokine interleukin 1β (IL-1β). A methanol extract P. roots, suppressed IL-1β-induced NO production, was fractionated into three fractions (ethyl acetate (EtOAc)-soluble, n-butanol-soluble, water-soluble fractions) based on hydrophobicity. EtOAc-soluble fraction markedly inhibited production. After purified, compounds identified praeruptorins A, B, E, contents high. comparison their activities indicated that praeruptorin B exhibited highest potency inhibit production decreasing inducible synthase expression mRNAs encoding cytokines. Collectively, may primarily contribute roots.

Язык: Английский

Процитировано

8

Novel Functional Food Properties of Forest Onion (Eleutherine bulbosa Merr.) Phytochemicals for Treating Metabolic Syndrome: New Insights from a Combined Computational and In Vitro Approach DOI Open Access
Happy Kurnia Permatasari,

Nuril Farid Abshori,

Rony Abdi Syahputra

и другие.

Nutrients, Год журнала: 2024, Номер 16(10), С. 1441 - 1441

Опубликована: Май 10, 2024

Metabolic syndrome is a global health problem. The use of functional foods as dietary components has been increasing. One food interest forest onion extract (FOE). This study aimed to investigate the effect FOE on lipid and glucose metabolism in silico vitro using 3T3-L1 mouse cell line. was comprehensive that used multi-modal computational network pharmacology analysis molecular docking cells vitro. phytochemical were analyzed untargeted ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS). Next, an performed determine FOE’s bioactive compounds, toxicity analysis, protein target identification, pharmacology, carried out. pancreatic lipase, α-glucosidase, α-amylase inhibition determined. Finally, we determined its accumulation MAPK8, PPARG, HMGCR, CPT-1, GLP1 expression preadipocyte We showed potential metabolites targeted inhibited lipase levels, Furthermore, significantly (p < 0.05) inhibits expressions GLP-1 dose-dependent manner. contains several reduce α-amylase, proteins associated with

Язык: Английский

Процитировано

2

Subcritical water extraction of mangrove fruit extract (Sonneratia alba) and its antioxidant activity, network pharmacology, and molecular connectivity studies DOI Creative Commons

Djuhria Wonggo,

Chairil Anwar, Verly Dotulong

и другие.

Journal of Agriculture and Food Research, Год журнала: 2024, Номер 18, С. 101334 - 101334

Опубликована: Июль 30, 2024

Functional foods containing antioxidant molecules can limit the prevalence of various diseases, increase immunity, slow aging, and improve physical appearance. The aim this study was to use non-toxic prepare extracts from Sonneratia alba fruit, determine phytochemical composition, assess biological activity via in silico vitro capability. Variations temperatures times showed that conditions for best phytochemicals were 100 °C 10 min. highest values 23.33 mg quercetin equivalent/g (flavonoids), 1.24 tannic acid (tannins), IC50 = 62.38 ppm (antioxidant activity). Gas chromatography displayed 7 peaks attributed 21 possible compounds. Molecular docking analysis results mechanism three compounds (1) Ethyl iso-allocholate, (2) Gibb-3-ene-1,10-dicarboxylic acid,2,4a,7-trihydroxy-1-methyl-8-methylene-,1,4a-lactone,10-methyl ester,(1a,2β,4aa,4bβ,10β)-, (3) Pregn-4-ene-3,20-dione,17,21-dihydroxy-,bis(O-methyloxime) could be due their binding hydrogen bonding 3 reactive oxygen species (ROS) proteins (nitric oxide synthases). Subcritical water extract Mangrove fruit (S. alba) has potential as a functional food vitro.

Язык: Английский

Процитировано

2

From roots to codes: Applications of computer-aided drug discovery from medicinal plants DOI
Amina Javid,

Areej Fatima,

M Alkahtani Hamad

и другие.

South African Journal of Botany, Год журнала: 2024, Номер 173, С. 159 - 174

Опубликована: Авг. 22, 2024

Язык: Английский

Процитировано

1

Revealing Edible Bird Nest as Novel Functional Foods in Combating Metabolic Syndrome: Comprehensive In Silico, In Vitro, and In Vivo Studies DOI Open Access
Happy Kurnia Permatasari,

Queen Intan Permatasari,

Nurpudji Astuti Taslim

и другие.

Nutrients, Год журнала: 2023, Номер 15(18), С. 3886 - 3886

Опубликована: Сен. 6, 2023

Metabolic dysfunction, which includes intra-abdominal adiposity, glucose intolerance, insulin resistance, dyslipidemia, and hypertension, manifests into metabolic syndrome related diseases. Therefore, the discovery of new therapies in fight against is very challenging. This study aims to reveal existence an edible bird nest (EBN) as a functional food candidate that may be alternative fighting syndrome. The included three approaches: silico molecular docking simulation, vitro, vivo rats fed on cholesterol- fat-enriched diets. Four terpenoids Bakuchiol, Curculigosaponin A, Dehydrolindestrenolide, 1-methyl-3-(1-methyl-ethyl)-benzene EBN have been identified through LCMS/MS-QTOF. In simulations, Bakuchiol Dehydrolindestrenolide are considered potent because they higher inhibitory power four receptors (iNOS, ROS1 kinase, FTO, lipase) than standard drugs. vitro tests also provide insight antioxidant, antidiabetic, antiobesity activities EBN, quite feasible due smaller EC50 value compared Interestingly, studies showed significant improvements (p < 0.05) lipid profile, blood glucose, enzymatic levels, inflammatory biomarkers given high-dose dietary supplementation EBN. More interestingly, upregulates PGC-1α downregulates HMG-CoA reductase. Comprehensively, it has revealed can novel foods for combating

Язык: Английский

Процитировано

3