Density Functional Theory, Molecular-Docking Studies and Inhibition Effects of Pharmaceutical Active Ingredients on Xanthine Oxidase
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Summary
Dutasteride exhibited the lowest highest occupied molecular orbital–lowest unoccupied molecular orbital energy gap, the best isotropic polarizability, the best isotropic polarizability, and the best inhibition value in the study.
- Type
- article
- Published
- 2025-02-01
- Cited by
- 1
- References
- 38
- OpenAlex
- https://openalex.org/W4409160733
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:277590809
Keywords
Chemistry, Xanthine oxidase, Active ingredient, Docking (animal), Pharmacology
References
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- Efficacy and safety of dutasteride for the treatment of symptomatic benign prostatic hyperplasia (BPH): a systematic review and meta-analysis
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- Mycophenolate Mofetil
- Prospects of the Clinical Utilization of Melatonin
- Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
- The Determination of Enzyme Dissociation Constants
- Tropicamide eyedrops cannot be used for reliable diagnosis of Alzheimer's disease.
- Xanthine oxidase inhibitors: a patent survey
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.
- Effect of the damping function in dispersion corrected density functional theory
- Purification of xanthine oxidase from bovine milk by affinity chromatography with a novel gel
- Cleavage of Structural Proteins during the Assembly of the Head of Bacteriophage T4
- Pharmacology of different progestogens: the special case of drospirenone
- Therapeutic Effects of Xanthine Oxidase Inhibitors: Renaissance Half a Century after the Discovery of Allopurinol
- Crystal structures of bovine milk xanthine dehydrogenase and xanthine oxidase: structure-based mechanism of conversion.
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