ArticleAntimicrobial agents and chemotherapy2009
Three-dimensional model of lanosterol 14 alpha-demethylase from Cryptococcus neoformans: active-site characterization and insights into azole binding.
Article in Antimicrobial agents and chemotherapy, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 34 papers.
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Who cites it
34 citing papers in PubMed, 114 citations in OpenAlex.
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- Indene and indole-based compounds as potential antimicrobial agents: synthesis, activity, docking studies and ADME analysis.RSC advances · 2026Article
- Surface Modification of Zinc Undecylenate with Nanoparticle Fluconazole Using Low-Pressure RF Plasma-Assisted CVD: A New Generation Antifungal Compound.AAPS PharmSciTech · 2026Article
- Harnessing Machine Learning to Uncover Hidden Patterns in Azole-Resistant CYP51/ERG11 Proteins.Microorganisms · 2024Article
- Elucidating the structural basis for the enhanced antifungal activity of amide derivative againstIn silico pharmacology · 2024Article
- Reduced Susceptibility to Azoles in Cryptococcus gattii Correlates with the Substitution R258L in a Substrate Recognition Site of the Lanosterol 14-α-Demethylase.Microbiology spectrum · 2023Article
- ERG11 Gene Variability and Azole Susceptibility in Malassezia pachydermatis.Mycopathologia · 2023Article
- Induced expression of Ganoderma boninense Lanosterol 14α-Demethylase (ERG11) during interaction with oil palm.Molecular biology reports · 2023Article
- Article
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- Novel ABC Transporter Associated with Fluconazole Resistance in Aging ofJournal of fungi (Basel, Switzerland) · 2022Article
- Augmenting Azoles with Drug Synergy to Expand the Antifungal Toolbox.Pharmaceuticals (Basel, Switzerland) · 2022Review
- Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property ofFrontiers in medical technology · 2022Article
- In silico prediction and structure-based multitargeted molecular docking analysis of selected bioactive compounds against mucormycosis.Bulletin of the National Research Centre · 2022Article
- In Silico Structural Modeling and Analysis of Interactions ofInternational journal of molecular sciences · 2021Article
- Cell Wall Proteome Profiling of aMicroorganisms · 2021Article
- Indole-Containing Phytoalexin-Based Bioisosteres as Antifungals: In Vitro and In Silico Evaluation againstMolecules (Basel, Switzerland) · 2019Article
- Review
- Analysis of sphingolipids, sterols, and phospholipids in human pathogenicJournal of lipid research · 2017Article
- Pharmacophore-Based Virtual Screening of Novel Inhibitors and Docking Analysis for CYP51A from Penicillium italicum.Marine drugs · 2017Article
Corrections and comments
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Authors and funding
10 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cryptococcus neoformans is one of the most important causes of life-threatening fungal infections in immunocompromised patients. Lanosterol 14 alpha-demethylase (CYP51) is the target of azole antifungal agents. This study describes, for the first time, the 3-dimensional model of CYP51 from Cryptococcus neoformans (CnCYP51). The model was further refined by energy minimization and molecular-dynamics simulations. The active site of CnCYP51 was well characterized by multiple-copy simultaneous-search calculations, and four functional regions important for rational drug design were identified. The mode of binding of the natural substrate and azole antifungal agents with CnCYP51 was identified by flexible molecular docking. A G484S substitution mechanism for azole resistance in CnCYP51, which might be important for the conformation of the heme environment, is suggested.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.