ArticleFrontiers in chemistry2023
Computational pharmacology and computational chemistry of 4-hydroxyisoleucine: Physicochemical, pharmacokinetic, and DFT-based approaches.
Article in Frontiers in chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
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- Identification of isoliquiritigenin as a promising compound targeting lactate metabolism for heart failure alleviation.Scientific reports · 2025Article
- In Silico ADME Methods Used in the Evaluation of Natural Products.Pharmaceutics · 2025Review
- DFT and dynamic simulations of OleuoPectin structures as a potential anticoagulant agent.Scientific reports · 2025Article
- Harnessing the Therapeutic Potential of Pomegranate Peel-Derived Bioactive Compounds in Pancreatic Cancer: A Computational Approach.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Exploring Ginseng Bioactive Compound's Role in Hypertension Remedy: An In Silico Approach.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Prediction of Pharmacokinetics of Valeric Acid: Alternative Tool to Minimize Animal Studies.Current drug metabolism · 2025Article
- Molecular docking, free energy calculations, ADMETox studies, DFT analysis, and dynamic simulations highlighting a chromene glycoside as a potential inhibitor of PknG inFrontiers in chemistry · 2025Article
- Therapeutic Targets and Immune Mechanisms of Yinghuang Decoction in Sepsis: Integrating Network Pharmacology, Molecular Docking, and Pharmacokinetic Approaches.International journal of general medicine · 2025Article
- Assessment of the conceivable inhibitory activity of pathogenic microorganisms extracted from seaweed using phytochemicals, antioxidants, and in-silico molecular dynamic simulation.Scientific reports · 2024Article
- Correlation between Molecular Docking and the Stabilizing Interaction of HOMO-LUMO: Spirostans in CHK1 and CHK2, an In Silico Cancer Approach.International journal of molecular sciences · 2024Article
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- In silico investigation of potential phytoconstituents against ligand- and voltage-gated ion channels as antiepileptic agents.3 Biotech · 2024Article
- Rationally Designed Novel Antimicrobial Peptides Targeting Chitin Synthase for Combating Soybean Phytophthora Blight.International journal of molecular sciences · 2024Article
- Discovery of Pyrano[2,3-Pharmaceuticals (Basel, Switzerland) · 2024Article
- Molecular docking of antidiabetic molecules of libas (In silico pharmacology · 2024Article
- Probing the potential of bioactive compounds of millets as an inhibitor for lifestyle diseases: molecular docking and simulation-based approach.Frontiers in nutrition · 2023Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Computational pharmacology and chemistry of drug-like properties along with pharmacokinetic studies have made it more amenable to decide or predict a potential drug candidate. 4-Hydroxyisoleucine is a pharmacologically active natural product with prominent antidiabetic properties. In this study, ADMETLab 2.0 was used to determine its important drug-related properties. 4-Hydroxyisoleucine is compliant with important drug-like physicochemical properties and pharma giants' drug-ability rules like Lipinski's, Pfizer, and GlaxoSmithKline (GSK) rules. Pharmacokinetically, it has been predicted to have satisfactory cell permeability. Blood-brain barrier permeation may add central nervous system (CNS) effects, while a very slight probability of being CYP2C9 substrate exists. None of the well-known toxicities were predicted
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