Discovering Natural Products as Potential Inhibitors of SARS-CoV-2 Spike Proteins DOI
Muhammad Alqaaf,

Ahmad Kamal Nasution,

Mohammad Bozlul Karim

et al.

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 4, 2024

Abstract The ongoing global pandemic caused by the SARS-CoV-2 virus has demanded urgent search for effective therapeutic interventions. In response, our research aimed at identifying natural products (NPs) with potential inhibitory effects on entry of spike (S) protein into host cells. Utilizing Protein Data Bank Japan (PDBJ) and BindingDB databases, we isolated 204 S-glycoprotein sequences conducted a clustering analysis to identify similarities differences among them. We subsequently identified 33,722 binding molecules (BMs) matching them S-glycoproteins compared 52,107 secondary metabolites (SMs) from KNApSAcK database inhibitors. docking drug-likeness property analyses several SMs as drug candidates based energy (BE), no Lipinski’s rule violation (LV), psychochemical properties within pink area bioavailability radar, score (BAS) not less than 0.55. Fourteen were found be against three major types proteins. Our study provides foundation further experimental validation these compounds agents SARS-CoV-2.

Language: Английский

Discovering natural products as potential inhibitors of SARS-CoV-2 spike proteins DOI Creative Commons
Muhammad Alqaaf,

Ahmad Kamal Nasution,

Mohammad Bozlul Karim

et al.

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: Jan. 2, 2025

The ongoing global pandemic caused by the SARS-CoV-2 virus has demanded urgent search for effective therapeutic interventions. In response, our research aimed at identifying natural products (NPs) with potential inhibitory effects on entry of spike (S) protein into host cells. Utilizing Protein Data Bank Japan (PDBJ) and BindingDB databases, we isolated 204 S-glycoprotein sequences conducted a clustering analysis to identify similarities differences among them. We subsequently identified 33,722 binding molecules (BMs) matching them S-glycoproteins compared 52,107 secondary metabolites (SMs) from KNApSAcK database inhibitors. docking drug-likeness property analyses several SMs as drug candidates based energy (BE), no Lipinski's rule violation (LV), psychochemical properties within pink area bioavailability radar, score (BAS) not less than 0.55. Fourteen were predicted through computational inhibiting three major types S proteins. Our study provides foundation further experimental validation these compounds agents against SARS-CoV-2.

Language: Английский

Citations

1

Transformative Approaches in SARS-CoV-2 Management: Vaccines, Therapeutics and Future Direction DOI
Ankita Saha,

Shweta Choudhary,

Priyanshu Walia

et al.

Virology, Journal Year: 2025, Volume and Issue: 604, P. 110394 - 110394

Published: Jan. 11, 2025

Language: Английский

Citations

1

Exploring the mechanism of Radix Bupleuri in the treatment of depression combined with SARS-CoV-2 infection through bioinformatics, network pharmacology, molecular docking, and molecular dynamic simulation DOI Creative Commons

Zexing Chen,

Xinhua Wang,

Wanyi Huang

et al.

Metabolic Brain Disease, Journal Year: 2025, Volume and Issue: 40(1)

Published: Jan. 17, 2025

Language: Английский

Citations

1

Biotechnological approaches in the production of plant secondary metabolites for treating human viral diseases: Prospects and challenges DOI

Mohtaram Mahmoudieh,

Mohammad Reza Naghavi, Zulfazli M. Sobri

et al.

Biocatalysis and Agricultural Biotechnology, Journal Year: 2024, Volume and Issue: 59, P. 103249 - 103249

Published: May 22, 2024

Language: Английский

Citations

5

Effect of Ficus pumila L. on Improving Insulin Secretory Capacity and Resistance in Elderly Patients Aged 80 Years Old or Older Who Develop Diabetes After COVID-19 Infection DOI Open Access
Kenji Gonda,

Takeshi Hai,

Kouichi Suzuki

et al.

Nutrients, Journal Year: 2025, Volume and Issue: 17(2), P. 290 - 290

Published: Jan. 15, 2025

(1) Background: It has been reported that people affected by COVID-19, an infectious disease caused SARS-CoV-2, suffer from various diseases, after infection. One of the most serious problems is increased risk developing diabetes COVID-19 However, a treatment for post-COVID-19 infection not yet established. In this study, we investigated effects Ficus pumila L. extract, which traditionally used to reduce blood glucose levels in Okinawa, on patients who developed (2) Methods: total, 128 rehabilitation aged 80 years old or older were included. The HOMA-β (Homeostatic model assessment β-cell function) and HOMA-IR insulin resistance) assessed evaluate tolerance. (3) Results: decreased Subsequently, 59 given extract their improved ingestion. On other hand, control group did consume showed no improvement both HOMA-IR. (4) Conclusions: ingested infection, stimulated secretion capacity resistance.

Language: Английский

Citations

0

Diverse Structures of Tea Polyphenols from Rougui Wuyi Rock Tea and Their Potential as Inhibitor of 3C-like Protease DOI Creative Commons

Qing Sun,

Xiaojuan Chen, Jie Zhang

et al.

Molecules, Journal Year: 2025, Volume and Issue: 30(5), P. 1024 - 1024

Published: Feb. 23, 2025

Tea polyphenols, the primary bioactive constituents responsible for various health benefits of tea, can be categorized into different subgroups according to their structural characteristics. However, distinctions in antiviral activity among diverse types polyphenolic compounds remain unexplored. In present study, fifty-eight tea polyphenols with varied structures, including eleven undescribed compounds, were isolated from Rougui Wuyi rock tea. Their molecular structures elucidated using comprehensive analytical approaches NMR, HRMS, CD spectroscopic data and acid hydrolysis. The polyphenol analogs could structurally classified two main categories: flavan-3-ols, which include catechins, flavoalkaloids, procyanidins theasinensins, flavones, encompassing kaempferol, quercetin, myricetin, respective glycosides. inhibitory activities against 3CLpro assessed vitro, eighteen phenolic exhibited effects on 3CLpro, IC50 values ranging 9.8 μM 61.1 μM. Among them, catechin flavoalkaloid derivatives, demonstrated superior compared other categories. structure-activity relationship was further explored, docking analysis revealed that differing derivatives attributed variations number positions hydrogen bond interactions 3CLpro. This study provides a valuable understanding supplies potential lead drugs.

Language: Английский

Citations

0

Bibliometric and visual analysis of global publications on kaempferol DOI Creative Commons

Ruying Tang,

Longfei Lin,

Yuling Liu

et al.

Frontiers in Nutrition, Journal Year: 2024, Volume and Issue: 11

Published: Aug. 16, 2024

Introduction Kaempferol, a flavonoid found in numerous foods and medicinal plants, offers range of health benefits such as anti-inflammatory, antioxidant, antiviral, anticancer, cardioprotective, neuroprotective effects. Methods Herein, bibliometric visual analysis global publications on kaempferol was performed to map the evolution frontiers hotspots field. Using search string TS = kaempferol, data for this extracted from Web Science Core Collection database analyzed using VOSviewer, CiteSpace, Scimago Graphica software. Results As result, by February 26, 2024, 11,214 were identified, comprising articles ( n 10,746, 96%) review 468, 4%). Globally, annual number surpassed 100 per year since 2000, exceeded 500 2018, further crossed threshold 1,000 starting 2022. The major contributing countries China, United States America, India, while top three institutes citations Chinese Academy Sciences, Consejo Superio de Investigaciones Cientficas, Uniersidade do Porto. These mainly published agricultural food chemistry journals, chemistry, phytochemistry. Discussion keywords frequently mentioned include phenolic compounds, antioxidant activity, flavonoids, NF-kappa B, inflammation, bioactive etc. Anti-inflammation, anti-oxidation, anti-cancer have consistently been focus research, cardiovascular protection, neuroprotection, anti-bacterial effects emerged recent highlights. field research is thriving.

Language: Английский

Citations

2

Ethyl acetate fraction of Thesium chinense Turcz. alleviates chronic obstructive pulmonary disease through inhibition of ferroptosis mediated by activating Nrf2/SLC7A11/GPX4 axis DOI
Mingjie Liu,

Zhen‐Peng Xu,

Yue-Qin Guan

et al.

Journal of Ethnopharmacology, Journal Year: 2024, Volume and Issue: 337, P. 118776 - 118776

Published: Aug. 31, 2024

Language: Английский

Citations

2

Kaempferol enhances intestinal repair and inhibits the hyperproliferation of aging intestinal stem cells in Drosophila DOI Creative Commons

Liusha Zhao,

Ting Luo, Hong Zhang

et al.

Frontiers in Cell and Developmental Biology, Journal Year: 2024, Volume and Issue: 12

Published: Oct. 10, 2024

Intestinal stem cells (ISCs) are crucial for tissue repair and homeostasis because of their ability to self-renew differentiate. However, functionality declines significantly with age, resulting in reduced regeneration a higher risk age-related diseases. Addressing this decline ISC performance during aging presents substantial challenge. The specific impact nutrients or dietary elements on adaptive resizing is urgent explore.

Language: Английский

Citations

2

Improved Recovery of Antioxidant Compounds from Refined Pumpkin Peel Extract: A Mixture Design Method Approach DOI Creative Commons
Rim Ben Mansour, Hanen Falleh,

Nermine Nefzi

et al.

Horticulturae, Journal Year: 2023, Volume and Issue: 9(10), P. 1111 - 1111

Published: Oct. 8, 2023

This study employed the mixture design method to determine optimal solvent combinations, aiming obtain refined extracts from squash peels with enhanced antioxidant properties. We optimized extraction solvents, focusing on recovering total phenolic compounds (TPC) and increased properties using a second-order polynomial equation through response surface methodology (RSM). Six solvents (MeOH, Hexane, DCM, EtOAc, BuOH, water) were assessed for their effects TPC activity in preliminary experiments. The underwent HPLC analysis composition determination further evaluated antibacterial cytotoxicity. results revealed rich content extract of Bejaoui landrace, primarily catechin (8.06 mg/g dry (DE)), followed by epicatechin kaempferol (5 DE). Antibacterial tests against Enterococcus faecalis, Pseudomonas aeruginosa, Salmonella typhimurium, Staphylococcus aureus showed significant antimicrobial activities, especially Karkoubi batati landraces, where growth inhibitions 99%, 96%, 97%, 80% 94%, 89%, 98%, 96% respective bacteria. peel exhibited negligible cytotoxicity RAW264.7 cell line, even at high concentrations. Our findings emphasize potential due diverse compounds, suggesting use food nutraceuticals industries as sources natural agents.

Language: Английский

Citations

4