ArticleCurrent research in toxicology2023
Herbal concoction Unveiled: A computational analysis of phytochemicals' pharmacokinetic and toxicological profiles using novel approach methodologies (NAMs).
Article in Current research in toxicology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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Who cites it
31 citing papers in PubMed.
- Integrated experimental and computational evaluation of Anagallis foemina derived terpenoids against carbapenem resistant Acinetobacter baumannii.Scientific reports · 2026Article
- Curcuma longa-derived extracellular vesicle-like particles ameliorate retinal neovascularization through HIF-1α and NRF2 signaling.Journal of nanobiotechnology · 2026Article
- Targeting Protein Tyrosine Phosphatase 1B (PTP1B) to Improve Insulin Sensitivity Using Indole-Fused Glycyrrhetinic Acid Conjugates with Amino Acids.ACS medicinal chemistry letters · 2026Article
- In Silico Profiling of Phytochemicals for Modulating Amyloid Beta-Mediated Immune Regulation and Neuroinflammation in Alzheimer's Disease.ACS omega · 2026Article
- Network pharmacology and molecular simulation insights into the anti-diabetic and anti-inflammatory mechanisms of Ricinus communis.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Deciphering the cancer chemopreventive potential of phytochemicals: an integrative perspective on molecular targets and signaling networks.Cancer cell international · 2026Review
- Unveiling the anti-inflammatory activity of chloroform fraction of curcuma wallichii and its phytoconstituents by in vivo and in silico studies.Scientific reports · 2026Article
- Quantitative Treatments for Explaining the Mechanism and Kinetics of Catalytic Electron Transfers in Murburn Processes, Particularly Involving Heme Enzymes Like (Per)oxidases and P450s.BioMed research international · 2026Review
- Integrated experimental and computational insights into the anti-inflammatory potential of flower-derived exosome-like nanoparticles targeting the NF-κB pathway.Frontiers in bioinformatics · 2026Article
- Computational Approach to Select Lead-Like Compounds From an Opioid Class of Novel Psychoactive Substances.Chemistry & biodiversity · 2026Article
- A comparative study on phytochemical analysis and biological properties of three varieties ofOpen life sciences · 2026Article
- Biochemical investigations, in silico study and targeted delivery aspects of plant phytosterols: β-sitosterol.Inflammopharmacology · 2025Review
- Tiliacorinine as a Promising Candidate for Cholangiocarcinoma Therapy via Oxidative Stress Molecule Modulation: A Study Integrating Network Pharmacology, Molecular Docking and Molecular Dynamics Simulation.Antioxidants (Basel, Switzerland) · 2025Article
- New Derivatives of 2-(Cyclohexylamino)thiazol-4(5International journal of molecular sciences · 2025Article
- Thymol as a Potential Natural Antiemetic: Insights From In Vivo and In Silico Studies.Food science & nutrition · 2025Article
- A review of herbal therapeutics for the prevention and management of poxvirus infections.Archives of microbiology · 2025Review
- Advances in pharmacological research on myocardial remodeling agents: A decade in review.Medicine · 2025Review
- Bioinspired Soft Machines: Engineering Nature's Grace into Future Innovations.Journal of functional biomaterials · 2025Review
- Novel Approach Methodologies in Modeling Complex Bioaerosol Exposure in Asthma and Allergic Rhinitis Under Climate Change.Expert reviews in molecular medicine · 2025Review
- In-silico screening, molecular dynamics simulation and ADME evaluation ofIn silico pharmacology · 2025Article
Corrections and comments
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Herbal medications have an extensive history of use in treating various diseases, attributed to their perceived efficacy and safety. Traditional medicine practitioners and contemporary healthcare providers have shown particular interest in herbal syrups, especially for respiratory illnesses associated with the SARS-CoV-2 virus. However, the current understanding of the pharmacokinetic and toxicological properties of phytochemicals in these herbal mixtures is limited. This study presents a comprehensive computational analysis utilizing novel approach methodologies (NAMs) to investigate the pharmacokinetic and toxicological profiles of phytochemicals in herbal syrup, leveraging in-silico techniques and prediction tools such as PubChem, SwissADME, and Molsoft's database. Although molecular dynamics, docking, and broader system-wide analyses were not considered, future studies hold potential for further investigation in these areas. By combining drug-likeness with molecular simulation, researchers identify diverse phytochemicals suitable for complex medication development examining their pharmacokinetic-toxicological profiles in phytopharmaceutical syrup. The study focuses on herbal solutions for respiratory infections, with the goal of adding to the pool of all-natural treatments for such ailments. This research has the potential to revolutionize environmental and alternative medicine by leveraging in-silico models and innovative analytical techniques to identify novel phytochemicals with enhanced therapeutic benefits and explore network-based and systems biology approaches for a deeper understanding of their interactions with biological systems. Overall, our study offers valuable insights into the computational analysis of the pharmacokinetic and toxicological profiles of herbal concoction. This paves the way for advancements in environmental and alternative medicine. However, we acknowledge the need for future studies to address the aforementioned topics that were not adequately covered in this research.
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