Exploring QSAR for CYP11B2 binding affinity and CYP11B2/CYP11B1 selectivity of diverse functional compounds using GFA and G/PLS techniques

No abstract is available for this paper.

• Publication year

  2010

• Venue

  Journal of Enzyme Inhibition and Medicinal Chemistry

• Publication date

  2010-04-20

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.3109/14756360903179476PMID 20030574
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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  2004cited by this paper
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• Superoxide Is Involved in the Central Nervous System Activation and Sympathoexcitation of Myocardial Infarction–Induced Heart Failure

  2004cited by this paper
• Vascular synthesis of aldosterone: role in hypertension.

  2004influential reference
• Contrasting associations between aldosterone synthase gene polymorphisms and essential hypertension in blacks and in whites

  2003cited by this paper
• Extra‐adrenal production of corticosteroids

  2003influential reference
• Beneficial neurohormonal profile of spironolactone in severe congestive heart failure: results from the RALES neurohormonal substudy.

  2002cited by this paper
• Aldosterone Breakthrough During Angiotensin II Receptor Antagonist Therapy in Stroke-Prone Spontaneously Hypertensive Rats

  2002cited by this paper
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  2001cited by this paper
• Failure of aldosterone suppression despite angiotensin-converting enzyme (ACE) inhibitor administration in chronic heart failure is associated with ACE DD genotype.

  2001cited by this paper
• Induction of cardiac fibrosis by aldosterone.

  2000cited by this paper
• CYP11B2 gene polymorphisms in idiopathic hyperaldosteronism.

  2000cited by this paper
• Renin-angiotensin-aldosterone system and myocardial fibrosis.

  2000influential reference
• Spironolactone in congestive heart failure

  2000cited by this paper
• Aldosterone antagonists in hypertension and heart failure.

  2000cited by this paper
• Mineralocorticoid receptor antagonists: the evolution of utility and pharmacology.

  2000cited by this paper
• The Effect of Spironolactone on Morbidity and Mortality in Patients with Severe Heart Failure

  2000cited by this paper
• Mutations in CYP11B1 gene converting 11beta-hydroxylase into an aldosterone-producing enzyme are not present in aldosterone-producing adenomas.

  1999cited by this paper
• Losartan inhibits the post-transcriptional synthesis of collagen type I and reverses left ventricular fibrosis in spontaneously hypertensive rats.

  1999cited by this paper
• Effects of AT1 receptor blockade after myocardial infarct on myocardial fibrosis, stiffness, and contractility.

  1999cited by this paper
• How often are angiotensin II and aldosterone concentrations raised during chronic ACE inhibitor treatment in cardiac failure?

  1999cited by this paper
• NHE2 contains subdomains in the COOH terminus for growth factor and protein kinase regulation.

  1999cited by this paper
• The effect of spironolactone on morbidity and mortality in patients with severe heart failure. Randomized Aldactone Evaluation Study Investigators.

  1999cited by this paper
• Conferring aldosterone synthesis to human CYP11B1 by replacing key amino acid residues with CYP11B2-specific ones.

  1998influential reference
• GA Strategy for Variable Selection in QSAR Studies: GA-Based PLS Analysis of Calcium Channel Antagonists

  1997cited by this paper
• Practical Application of Computer-Aided Drug Design

  1997cited by this paper
• Genetic Partial Least Squares in QSAR

  1996cited by this paper
• Genetic algorithms in molecular modeling

  1996cited by this paper
• Chemometric methods in molecular design

  1995cited by this paper
• Statistical Validation of QSAR Results

  1995cited by this paper
• Haplotype analysis of CYP11B2.

  1995cited by this paper
• Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships

  1994cited by this paper
• Role of steroid 11 beta-hydroxylase and steroid 18-hydroxylase in the biosynthesis of glucocorticoids and mineralocorticoids in humans.

  1992cited by this paper
• A hybrid cell mapping panel for regional localization of probes to human chromosome 8.

  1991cited by this paper
• Cloning of cDNA and genomic DNA for human cytochrome P‐45011β

  1990cited by this paper
• Characterization of two genes encoding human steroid 11 beta-hydroxylase (P-450(11) beta).

  1989cited by this paper
• Cloning of cDNA encoding steroid 11 beta-hydroxylase (P450c11).

  1987cited by this paper
• Statistical Methods

  1959cited by this paper
• Introduction General Considerations

  year unknowncited by this paper

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• Current Modeling Methods Used in QSAR/QSPR

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• On the use of the metric rm² as an effective tool for validation of QSAR models in computational drug design and predictive toxicology.

  2012cites this paper
• Further exploring rm2 metrics for validation of QSPR models

  2011cites this paper
• Computational modeling of P450s for toxicity prediction

  2011cites this paper
• On further application of r  m2 as a metric for validation of QSAR models

  2009cites this paper