In vivo determination of analgesic and anti-inflammatory activities of isolated compounds from Cleome amblyocarpa and molecular modelling for the top active investigated compounds DOI Creative Commons

Mayada M. El-Ayouty,

Nermeen A. Eltahawy,

Ahmed M. Abd EL-sameaa

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(34), P. 24503 - 24515

Published: Jan. 1, 2024

Cleome amblyocarpa Barr. and Murb. from the family Cleomaceae is used in folk medicine as it has analgesic, anti-inflammatory, antibacterial antioxidant activities.

Language: Английский

Nanoparticles of Natural Product-derived Medicines: Beyond the Pandemic DOI Creative Commons
Yedi Herdiana

Heliyon, Journal Year: 2025, Volume and Issue: 11(4), P. e42739 - e42739

Published: Feb. 1, 2025

This review explores the synergistic potential of natural products and nanotechnology for viral infections, highlighting key antiviral, immunomodulatory, antioxidant properties to combat pandemics caused by highly infectious viruses. These often result in severe public health crises, particularly affecting vulnerable populations due respiratory complications increased mortality rates. A cytokine storm is initiated when an overload pro-inflammatory cytokines chemokines released, leading a systemic inflammatory response. Viral mutations limited availability effective drugs, vaccines, therapies contribute continuous transmission virus. The coronavirus disease-19 (COVID-19) pandemic has sparked renewed interest product-derived antivirals. efficacy traditional medicines against infections examined. Their anti-inflammatory, are highlighted. discusses how enhances herbal combating infections.

Language: Английский

Citations

1

Exploring the Interaction of RBD with Human β Defensin Type 2 Point Mutants: Insights from Molecular Dynamics Simulations DOI
Ishrat Jahan, Liqun Zhang

The Journal of Physical Chemistry B, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 10, 2025

The global health crisis triggered by the SARS-CoV-2 virus has highlighted urgent need for effective treatments. As existing drugs are not specifically targeted at this virus, there is a growing interest in exploring natural antimicrobial peptides such as defensin potential therapeutic options. Human β type 2 (hBD-2), which cationic cysteine-rich peptide, serves initial barrier against bacterial and fungal invaders mammals. It can bind with Spike-RBD occupy same site ACE2 receptor, thereby hindering viral entry into cells expressing ACE2. To explore effect of different point mutations on binding hBD-2 RBD, dynamics interactions between mutants RBD were studied compared that RBD&hBD-2 wild-type complex. In total, 247 built mutation sites region (RES18-30) CoV-2. All-atom molecular simulations carried out mutants. Analysis based root-mean-square deviation (RMSD), hydrogen bonds analysis, free energy using MM/PBSA method revealed many exhibit weaker to wild type; however, subset mutants, including C20I, C20K, R22W, R23H, R23L, Y24L, K25F, K25H, G28Y, T29R, C30K, displayed enhanced RBD. findings offer insights designing hBD-2-based novel combat long term.

Language: Английский

Citations

0

Unraveling Extremely Damaging IRAK4 Variants and Their Potential Implications for IRAK4 Inhibitor Efficacy DOI Open Access
Mohammed Y. Behairy, Refaat A. Eid, Hassan Otifi

et al.

Journal of Personalized Medicine, Journal Year: 2023, Volume and Issue: 13(12), P. 1648 - 1648

Published: Nov. 26, 2023

Interleukin-1-receptor-associated kinase 4 (IRAK4) possesses a crucial function in the toll-like receptor (TLR) signaling pathway, and dysfunction of this molecule could lead to various infectious immune-related diseases addition cancers. IRAK4 genetic variants have been linked types diseases. Therefore, we conducted comprehensive analysis recognize missense with most damaging impacts on employment diverse bioinformatics tools study single-nucleotide polymorphisms' effects function, stability, secondary structures, 3D structure. The residues' location protein domain their conservation status were investigated as well. Moreover, docking along structural biology engaged analyzing SNPs' one developed inhibitors. By gene SNPs, distinguished ten detrimental variants. All situated highly conserved positions an important domain. L318S L318F mutations changes structures. Eight SNPs revealed decreasing effect stability via both I-Mutant 2.0 Mu-Pro tools, while tool identified for G198E SNP. In addition, structure also discovered selected Molecular modeling studies highlighted impact these SNP mutant residues druggability ATP-binding site towards known target inhibitor, HG-12-6, compared native protein. loss ligand residue-wise contacts, altered global flexibility, increased steric clashes, even electronic penalties at ligand-binding interfaces all suggested be associated models hampering HG-12-6 affinity This given model lays foundation better prediction disorders relevant malfunction sheds light deleterious inhibitor efficacy.

Language: Английский

Citations

2

Mannose-binding lectin gene polymorphism in psoriasis and vitiligo: an observational study and computational analysis DOI Creative Commons
Mohammed Y. Behairy, Noha Z. Tawfik, Refaat A. Eid

et al.

Frontiers in Medicine, Journal Year: 2024, Volume and Issue: 10

Published: Feb. 9, 2024

Introduction Psoriasis and vitiligo are inflammatory autoimmune skin disorders with remarkable genetic involvement. Mannose-binding lectin (MBL) represents a significant immune molecule one of its gene variants strongly linked to diseases. Therefore, in this study, we investigated the role MBL variant, rs1800450, psoriasis disease susceptibility. Methods The study comprised performing silico analysis, an observational regarding patients, patients. Various tools were used investigate impact selected mutation on function, stability, post-translational modifications (PTMs), secondary structures protein. In addition, total 489 subjects enrolled including their demographic clinicopathological data. Genotyping analysis was performed using real-time PCR for single nucleotide polymorphism (SNP) rs1800450 codon 54 gene, utilizing TaqMan genotyping technology. implications studied variant susceptibility various data analyzed. Results Computational demonstrated anticipated effects Furthermore, studies, SNP displayed comparable results our population relative global frequencies reported via 1,000 Genomes Project. This showed no association either or risk all models. did not significantly correlate any features both vitiligo. Discussion Our findings highlighted that MBL2 has diseases, such as vitiligo, among Egyptian advocated notion redundancy revealed lack disorders.

Language: Английский

Citations

0

In vivo determination of analgesic and anti-inflammatory activities of isolated compounds from Cleome amblyocarpa and molecular modelling for the top active investigated compounds DOI Creative Commons

Mayada M. El-Ayouty,

Nermeen A. Eltahawy,

Ahmed M. Abd EL-sameaa

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(34), P. 24503 - 24515

Published: Jan. 1, 2024

Cleome amblyocarpa Barr. and Murb. from the family Cleomaceae is used in folk medicine as it has analgesic, anti-inflammatory, antibacterial antioxidant activities.

Language: Английский

Citations

0