Fighting cytokine storm and immunomodulatory deficiency: By using natural products therapy up to now

Frontiers in Pharmacology, Journal Year: 2023, Volume and Issue: 14

Published: April 12, 2023

A novel coronavirus strain (COVID-19) caused severe illness and mortality worldwide from 31 December 2019 to 21 March 2023. As of this writing, 761,071,826 million cases have been diagnosed worldwide, with 6,879,677 deaths accorded by WHO organization has spread 228 countries. The number is closely connected the growth innate immune cells in lungs, mainly macrophages, which generate inflammatory cytokines (especially IL-6 IL-1β) that induce "cytokine storm syndrome" (CSS), multi-organ failure, death. We focus on promising natural products their biologically active chemical constituents as potential phytopharmaceuticals target virus-induced pro-inflammatory cytokines. Successful therapy for condition currently rare, introduction an effective vaccine might take months. Blocking viral entrance replication regulating humoral cellular immunity uninfected population are most often employed treatment approaches infections. Unfortunately, no presently FDA-approved medicine can prevent or reduce SARS-CoV-2 access reproduction. Until now, important element disease severity host's response activation suppression. Several medicines adapted COVID-19 patients, including arbidol, favipiravir, ribavirin, lopinavir, ritonavir, hydroxychloroquine, chloroquine, dexamethasone, anti-inflammatory pharmaceutical drugs, such tocilizumab, glucocorticoids, anakinra (IL-1β cytokine inhibition), siltuximab (IL-6 inhibition). However, these synthetic medications therapies several side effects, heart permanent retinal damage case hydroxyl-chloroquine, liver destruction remdesivir. This review summarizes four strategies fighting storms immunomodulatory deficiency induced using product a therapeutic measure control storms.

Language: Английский

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Phytochemicals in Drug Discovery—A Confluence of Tradition and Innovation

International Journal of Molecular Sciences, Journal Year: 2024, Volume and Issue: 25(16), P. 8792 - 8792

Published: Aug. 13, 2024

Phytochemicals have a long and successful history in drug discovery. With recent advancements analytical techniques methodologies, discovering bioactive leads from natural compounds has become easier. Computational like molecular docking, QSAR modelling machine learning, network pharmacology are among the most promising new tools that allow researchers to make predictions concerning products’ potential targets, thereby guiding experimental validation efforts. Additionally, approaches LC-MS or LC-NMR speed up compound identification by streamlining processes. Integrating structural computational biology aids lead identification, thus providing invaluable information understand how phytochemicals interact with targets body. An emerging approach is learning involving deep neural networks interrelate phytochemical properties diverse physiological activities such as antimicrobial anticancer effects.

Language: Английский

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Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation

Published: June 13, 2024

Phytochemicals have a long and successful history in drug discovery. With recent advancements analytical techniques methodologies, discovering bioactive leads from natural compounds has become easier. Computational like molecular docking, QSAR modelling machine learning, network pharmacology are among the most promising new tools that allow researchers to make predictions concerning products' potential targets, thereby guiding experimental validation efforts. Additionally, approaches LC-MS or LC-NMR speed up compound identification by streamlining processes. Integrating structural computational biology aids lead identification, thus providing invaluable information understand how phytochemicals interact with targets body. Emerging approach is learning involving deep neural networks interrelate phytochemical properties diverse physiological activities such as antimicrobial anticancer effects.

Language: Английский

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Bidirectional approach of Punica granatum natural compounds: reduction in lung cancer and SARS-CoV-2 propagation

BMC Complementary Medicine and Therapies, Journal Year: 2025, Volume and Issue: 25(1)

Published: Jan. 30, 2025

The spreading of COVID-19 has posed a risk to global health, especially for lung cancer patients. An investigation is needed overcome the challenges pathophysiology and disease. This study was designed evaluate phytoconstituents in Punica granatum peel (PGP), its anti-lung activity, silico evaluation antiviral potential. GC–MS technique used detect phytoconstituents. Cytotoxicity analyzed using MTT dye, followed by apoptosis, ROS generation, cell cycle phase detection human cells (A549). glide module Maestro software investigate molecular-docking interaction constituents against main protease (Mpro) papain-like (PLpro) SARS-CoV-2. GROMACS 2023.2 utilized complex stability. A total nineteen phytocomponents were detected PGP extract through analysis. shown potential reduce proliferation while evading normal death. induced apoptosis arresting G0/G1 generating ROS. six eight had high affinity PLpro Mpro proteins, respectively. top docked complex, ethyl 5-oxo-2-pyrrolidinecarboxylate, with showed likely stable throughout 100 ns simulation. finding raises possibility top-eight hits (docking score ≥ -1.0 kcal/mol) preventing SARS-CoV-2 severity. exhibited orally active drugs no more than one violation drug-likeness activity. are suggested be dual agents pathogenesis.

Language: Английский

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Design, synthesis and biological evaluation of thienopyridine derivatives as c-Met kinase inhibitors

Molecular Diversity, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 2, 2024

Language: Английский

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Network pharmacology and in silico investigation into the therapeutic potential of phytoconstituents of Peucedanum ostruthium as anti-tubercular agents

Health Sciences Review, Journal Year: 2025, Volume and Issue: unknown, P. 100219 - 100219

Published: Feb. 1, 2025

Language: Английский

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Analysing the Anticancer Properties of Pterostilbene Through Absorption, Distribution, Metabolism, and Excretion (ADME) and Molecular Docking Studies

Cureus, Journal Year: 2024, Volume and Issue: unknown

Published: April 16, 2024

Aim The aim of this study is to examine the possible therapeutic effect pterostilbene (PTS), a chemical present in grapes and blueberries, treatment liver cancer by analysing its interactions with important proteins linked wingless/integrated (Wnt) signaling system. Objective Using computational techniques like molecular docking absorption, distribution, metabolism, excretion (ADME) studies, research focuses on examining pharmacokinetics PTS such as vimentin (Vim), glycogen synthase kinase 3 beta (GSK3-β), epithelial cadherin (E-cadherin), interleukin-6 (IL-6), interleukin-1 (IL-1β), c-Jun N-terminal (JNK), Wnt, all which are connected Wnt pathway cancer. Methods includes synthesis ligands, ADME investigations for PTS, AutoDock Vina simulations evaluate binding affinities interactions. obtained from PubChem, while protein structures Protein Data Bank. Results Strong between essential cascade shown docking, also highlights noteworthy hydrogen bonds, hydrophobic interactions, electrostatic contacts. According an study, has advantageous pharmacokinetic properties, moderate solubility, membrane permeability, minimal chance drug Conclusion extensive PTS's potential viable option promotes investigation cutting-edge therapy approaches urges more into mechanisms, underpinning anticancer properties. This paper sheds light role natural chemicals emphasizes need methods discovery.

Language: Английский

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Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation

Published: June 17, 2024

Phytochemicals have a long and successful history in drug discovery. With recent advancements analytical techniques methodologies, discovering bioactive leads from natural compounds has become easier. Computational like molecular docking, QSAR modelling machine learning, network pharmacology are among the most promising new tools that allow researchers to make predictions concerning products' potential targets, thereby guiding experimental validation efforts. Additionally, approaches LC-MS or LC-NMR speed up compound identification by streamlining processes. Integrating structural computational biology aids lead identification, thus providing invaluable information understand how phytochemicals interact with targets body. Emerging approach is learning involving deep neural networks interrelate phytochemical properties diverse physiological activities such as antimicrobial anticancer effects.

Language: Английский

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Anti-Staphylococcal, Anti-Candida, and Free-Radical Scavenging Potential of Soil Fungal Metabolites: A Study Supported by Phenolic Characterization and Molecular Docking Analysis

Current Issues in Molecular Biology, Journal Year: 2023, Volume and Issue: 46(1), P. 221 - 243

Published: Dec. 28, 2023

Staphylococcus and Candida are recognized as causative agents in numerous diseases, the rise of multidrug-resistant strains emphasizes need to explore natural sources, such fungi, for effective antimicrobial agents. This study aims assess vitro anti-staphylococcal anti-candidal potential ethyl acetate extracts from various soil-derived fungal isolates. The investigation includes isolating identifying well determining their antioxidative activities, characterizing phenolic substances through HPLC analysis, conducting silico molecular docking assessments phenolics’ binding affinities target proteins, aureus tyrosyl-tRNA synthetase albicans secreted aspartic protease 2. Out nine species tested, two highly potent isolates were identified ITS ribosomal gene sequencing: Aspergillus terreus AUMC 15447 A. nidulans 15444. Results indicated that 15444 effectively inhibited S. (concentration range: 25–0.39 mg/mL), with extract demonstrating significant suppression spp. 3.125–0.39 mg/mL). exhibited an IC50 0.47 mg/mL toward DPPH radical-scavenging activity. analysis extracts, employing 18 standards, revealed varying degrees detected phenolics terms presence quantities. Docking investigations highlighted rutin a inhibitor, showing high affinity (−16.43 kcal/mol −12.35 kcal/mol) C. 2, respectively. findings suggest metabolites, particularly phenolics, hold promise development safe medications combat pathogenic infections.

Language: Английский

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In silico investigation and MD simulations of phytochemicals of C. wightii against dengue targets NS5 and E protein

Vegetos, Journal Year: 2023, Volume and Issue: 37(3), P. 1166 - 1184

Published: July 6, 2023

Language: Английский

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