Statins in therapy: understanding their hydrophilicity, lipophilicity, binding to 3-hydroxy-3-methylglutaryl-CoA reductase, ability to cross the blood brain barrier and metabolic stability based on electrostatic molecular orbital studies.
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Summary
The atomic electrostatic potentials calculated by the CHELPG method have been shown to be sensitive indicators of the gas phase and solution properties of the statins and suggest that clinical definitions of statins as either "hydrophilic" or "lipophilic" based on experimental partition coefficients are misleading.
- Type
- article
- Published
- 2014-10-06
- Cited by
- 139
- References
- 68
- Access
- Open access
- OpenAlex
- https://openalex.org/W2033530299
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:45888825
Keywords
Chemistry, Solvation, Lipophilicity, Binding energy, Molecular dynamics
References
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- Comparison of Clinical Outcomes of Hydrophilic and Lipophilic Statins in Patients with Acute Myocardial Infarction
- Pleiotropic effects of statin therapy: molecular mechanisms and clinical results.
- A View of the Hydrophobic Effect
- Isoprenoids as mediators of the biological effects of statins.
- The molecules of life.
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- Chemical reactivity and selectivity using Fukui functions: basis set and population scheme dependence in the framework of B3LYP theory
- Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
- Structure–reactivity relationships for aromatic molecules: electrostatic potentials at nuclei and electrophile affinity indices
- Chemical hardness and density functional theory
- Hydrophobicity scales: a thermodynamic looking glass into lipid-protein interactions.
- DIFFERENTIATION OF 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE INHIBITORS BY THEIR RELATIVE LIPOPHILICITY
- Energetics of protein hydrogen bonds
- Chemical, pharmacokinetic and pharmacodynamic properties of statins: an update
Cited by
- Binding energies of tyrosine kinase inhibitors: Error assessment of computational methods for imatinib and nilotinib binding
- Square-wave voltammetric determination of rosuvastatin calcium in pharmaceutical and biological fluid samples using a cathodically pretreated boron-doped diamond electrode
- Effects of Statins on Left Ventricular Diastolic Function in Patients with Dyslipidemia and Diastolic Dysfunction (Stat-LVDF Study).
- Permeability of the Blood–Brain Barrier: Molecular Mechanism of Transport of Drugs and Physiologically Important Compounds
- Review article: inhibition of methanogenic archaea by statins as a targeted management strategy for constipation and related disorders
- Statins and breast cancer stage and mortality in the Women’s Health Initiative
- Regression of Some High-risk Features of Age-related Macular Degeneration (AMD) in Patients Receiving Intensive Statin Treatment
- Rosuvastatin: Beyond the cholesterol-lowering effect.
- Physiology of ionophore transport of potassium and sodium ions across cell membranes: valinomycin and 18-crown-6 ether
- Anti-cancer properties of " hydrophilic and hydrophobic " statins and cyclin-dependent kinases
- Therapy with atorvastatin versus rosuvastatin reduces urinary podocytes, podocyte-associated molecules, and proximal tubule dysfunction biomarkers in patients with type 2 diabetes mellitus: a pilot study
- Generation of mineralised cellular constructs using mouse embryonic stem cells encapsulated in alginate hydrogels and cultured within a custom-made rotating wall vessel perfusion bioreactor
- Atorvastatin Promotes Phagocytosis and Attenuates Pro-Inflammatory Response in Human Retinal Pigment Epithelial Cells
- Molecular mechanisms of cytotoxic side effects of platinum anti-cancer drugs – a molecular orbital study
- Statins in therapy: Cellular transport, side effects, drug-drug interactions and cytotoxicity -the unrecognized role of lactones
- The effects of long-term atorvastatin use on the cytoarchitecture of new and older neurons of sensorimotor nucleus HVC in a juvenile songbird model
- Hydrophilicity-Controlled MFI-Type Zeolite-Coated Mesh for Oil/Water Separation
- Bis‐2(5H)‐furanone derivatives as new anticancer agents: Design, synthesis, biological evaluation, and mechanism studies
- Neuroprotective effects of statins against amyloid β-induced neurotoxicity
- An analysis of the effect of statins on the risk of Non‐Hodgkin's Lymphoma in the Women’s Health Initiative cohort
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