Antiviral Drug Discovery DOI Open Access
Zhenzhen Zhou, Xinyong Liu, Dongwei Kang

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(13), P. 7413 - 7413

Published: July 6, 2024

A vast and painful price has been paid in the battle against viruses global health [...]

Language: Английский

Bioaccessibility and bioavailability of cardioprotective peptides from fermented milks with specific strains of Limosilactobacillus fermentum after an ex vivo absorption model DOI

Miriam Zambrano-Cervantes,

Lilia M. Beltrán‐Barrientos, Miguel Á. Rendón-Rosales

et al.

International Dairy Journal, Journal Year: 2025, Volume and Issue: unknown, P. 106241 - 106241

Published: March 1, 2025

Language: Английский

Citations

0
Nuciferine Attenuates Cancer Cachexia‐Induced Muscle Wasting in Mice via HSP90AA1 DOI Creative Commons

Xueyan An,

Lisha Ma,

Yulan Bai

et al.

Journal of Cachexia Sarcopenia and Muscle, Journal Year: 2025, Volume and Issue: 16(2)

Published: April 1, 2025

Language: Английский

Citations

0
Advanced in silico design of an optimized multi-epitope peptide vaccine employing immunoinformatics and reverse vaccinology strategies on the model of Listeria monocytogenes DOI

Mainak Bhattacharjee,

Monojit Banerjee,

Arun Mukherjee

et al.

Journal of Proteins and Proteomics, Journal Year: 2025, Volume and Issue: unknown

Published: April 13, 2025

Language: Английский

Citations

0
Combination Therapies in Drug Repurposing: Personalized Approaches to Combatting Leukaemia and Multiple Myeloma DOI
Bernice A. Monchusi, Pritam N. Dube, Mutsa M. Takundwa

et al.

Advances in experimental medicine and biology, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Language: Английский

Citations

0
Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China DOI Creative Commons
Adam Kowalczyk

Medicina, Journal Year: 2024, Volume and Issue: 60(6), P. 892 - 892

Published: May 28, 2024

This review examines hesperidin, a citrus bioflavonoid, as potential antiviral agent against SARS-CoV-2. The COVID-19 pandemic has demanded an urgent need to search for effective compounds, including those of natural origin, such hesperidin. provides comprehensive analysis the chemical properties, bioavailability and mechanisms particularly its efficacy A databases, PubMedPico, Scopus Web Science, was conducted using specific keywords criteria in accordance with PRISMA (Re-porting Items Systematic Reviews Meta-Analysis) guidelines between 2020 2024. Of 207 articles, 37 were selected review. key aspect is correlation vitro, silico clinical studies on effects hesperidin epidemiological data consumption China during 2020–2024. importance integrating laboratory findings actual patterns better understand role mitigating highlighted, attempt made analyze examine association juice source incidence severity example. identifies consistencies discrepancies experimental data, highlighting correlate two fields Challenges limitations interpreting results future research perspectives this area are discussed. aim bridge gap evidence contribute understanding their correlation.

Language: Английский

Citations

2
Structural Characterization of Heat Shock Protein 90β and Molecular Interactions with Geldanamycin and Ritonavir: A Computational Study DOI Open Access
Carlyle Ribeiro Lima, Deborah Antunes, Ernesto R. Caffarena

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(16), P. 8782 - 8782

Published: Aug. 12, 2024

Drug repositioning is an important therapeutic strategy for treating breast cancer. Hsp90β chaperone attractive target inhibiting cell progression. Its structure has a disordered and flexible linker region between the N-terminal central domains. Geldanamycin was first inhibitor to interact specifically at site. Owing toxicity of geldanamycin, we investigated ritonavir as inhibitor, taking advantage its proven efficacy against In this study, used molecular modeling techniques analyze contribution flexibility interaction ligands ritonavir, Hsp90β. Our findings indicate that responsible fluctuation overall protein motion without disturbing inhibitors N-terminus. We also found established similar interactions with substrate ATP triphosphate, filling same pharmacophore zone.

Language: Английский

Citations

2
An in silico molecular docking and simulation study to identify potential anticancer phytochemicals targeting the RAS signaling pathway DOI Creative Commons
Mahir Azmal,

J. Paul,

Fatema Sultana Prima

et al.

PLoS ONE, Journal Year: 2024, Volume and Issue: 19(9), P. e0310637 - e0310637

Published: Sept. 19, 2024

The dysregulation of the rat sarcoma (RAS) signaling pathway, particularly MAPK/ERK cascade, is a hallmark many cancers, leading to uncontrolled cellular proliferation and resistance apoptosis-inducing treatments. Dysregulation pathway common in various cancers including pancreatic, lung, colon making it critical target for therapeutic intervention. Natural compounds, especially phytochemicals, offer promising avenue developing new anticancer therapies due their potential interfere with these pathways. This study investigates phytochemicals inhibit through molecular docking simulation techniques. A total 26 were screened from an initial set 340 which retrieved Dr. Duke’s database using silico methods binding affinity stability. Molecular was performed identify key interactions ERK2, followed by dynamics (MD) simulations evaluate stability interactions. identified several luteolin, hispidulin, isorhamnetin score -10.1±0 Kcal/mol, -9.86±0.15 -9.76±0.025 respectively as inhibitors ERK2 protein. These compounds demonstrated significant affinities stable MD studies up 200ns, at active site. radius gyration analysis confirmed phytochemical-protein complexes’ compactness, indicating ERK activity. suggest that they can effectively activity, potentially more effective less toxic cancer findings underscore promise could serve basis therapies.

Language: Английский

Citations

1
Family Malvaceae: a potential source of secondary metabolites with chemopreventive and anticancer activities supported with in silico pharmacokinetic and pharmacodynamic profiles DOI Creative Commons

Salma Sameh,

Ahmed M. Elissawy, Eman Al‐Sayed

et al.

Frontiers in Pharmacology, Journal Year: 2024, Volume and Issue: 15

Published: Oct. 16, 2024

Introduction Cancer is the second most widespread cause of mortality following cardiovascular disorders, and it imposes a heavy global burden. Nowadays, herbal nutraceutical products with plethora bioactive metabolites represent foundation stone for development promising chemopreventive anticancer agents. Certain members family Malvaceae have traditionally been employed to relieve tumors. The literature concerning effects plant species along isolated cytotoxic phytometabolites was reviewed. Based on findings, comprehensive computational modelling studies were performed explore pharmacokinetic pharmacodynamic profiles reported present basis future plant-based drug discovery. Methods All available information about research in its retrieved from official sources. Extensive search carried out using keywords Malvaceae, cancer, cytotoxicity, mechanism signalling pathway. Pharmacokinetic study SWISS ADME model. Acute oral toxicity expressed as median lethal dose (LD 50 ) predicted Pro Tox 3.0 web tool. compounds docked AutoDock Vina platform against epidermal growth factor receptor (EGFR kinase enzyme) obtained Protein Data Bank. Molecular dynamic simulations MMGBSA calculations GROMACS 2024.2 gmx_MMPBSA tool v1.5.2. Results One hundred forty-five articles eligible study. Several tested showed safe properties. Also, molecular docking that possessed agreeable binding affinities EGFR enzyme. Tiliroside (25), boehmenan (30), H (31), isoquercetin (22) elicited highest affinity toward enzyme score −10.4, −10.2 −10.1 Kcal/mol compared reference erlotinib having equal −9 Kcal/mol. Additionally, 25 31 free energies −42.17 −42.68 Kcal/mol, respectively, comparable erlotinib. Discussion Overall, current presents helpful insights into properties belonging members. results intensify roles secondary medicinal plants fighting cancer.

Language: Английский

Citations

1
Antiviral Drug Discovery DOI Open Access
Zhenzhen Zhou, Xinyong Liu, Dongwei Kang

et al.

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(13), P. 7413 - 7413

Published: July 6, 2024

A vast and painful price has been paid in the battle against viruses global health [...]

Language: Английский

Citations

0