New insights into PDE4B inhibitor selectivity: CoMFA analyses and molecular docking studies

No abstract is available for this paper.

• Publication year

  2016

• Venue

  Molecular diversity

• Publication date

  2016-02-01

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1007/s11030-015-9631-1PMID 26290462
• 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.

• Synthesis, biological evaluation and 3D QSAR study of 2,4-disubstituted quinolines as anti-tuberculosis agents.

  2015cited by this paper
• Phosphodiesterase-4 (PDE4) Molecular Pharmacology and Alzheimer’s Disease

  2014cited by this paper
• Improvement of spatial memory function in APPswe/PS1dE9 mice after chronic inhibition of phosphodiesterase type 4D.

  2014cited by this paper
• Structural basis for the design of selective phosphodiesterase 4B inhibitors.

  2014cited by this paper
• Combined 2D and 3D-QSAR, molecular modelling and docking studies of pyrazolodiazepinones as novel phosphodiesterase 2 inhibitors

  2014cited by this paper
• Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B inhibitors.

  2014influential reference
• 3D-QSAR/CoMFA-Based Structure-Affinity/Selectivity Relationships of Aminoalkylindoles in the Cannabinoid CB1 and CB2 Receptors

  2014cited by this paper
• Discovery of triazines as selective PDE4B versus PDE4D inhibitors.

  2014cited by this paper
• Protein data bank

  2012influential reference
• Docking-based 3D-QSAR analyses of pyrazole derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors

  2012cited by this paper
• Docking-based CoMFA and CoMSIA analyses of tetrahydro-β-carboline derivatives as type-5 phosphodiesterase inhibitors

  2012cited by this paper
• Insight into the binding interactions of CYP450 aromatase inhibitors with their target enzyme: a combined molecular docking and molecular dynamics study

  2012cited by this paper
• 3,4,5-Trisubstituted-1,2,4-4H-triazoles as WT and Y188L mutant HIV-1 non-nucleoside reverse transcriptase inhibitors: docking-based CoMFA and CoMSIA analyses

  2011cited by this paper
• GEBR‐7b, a novel PDE4D selective inhibitor that improves memory in rodents at non‐emetic doses

  2011cited by this paper
• Phosphodiesterase inhibitors in the treatment of inflammatory diseases.

  2011cited by this paper
• Phosphodiesterase-4D Knock-Out and RNA Interference-Mediated Knock-Down Enhance Memory and Increase Hippocampal Neurogenesis via Increased cAMP Signaling

  2011cited by this paper
• Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor.

  2011cited by this paper
• Small molecule allosteric modulators of phosphodiesterase 4.

  2011cited by this paper
• Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety

  2010cited by this paper
• CoMFA and CoMSIA analyses on 4-oxo-1,4-dihydroquinoline and 4-oxo-1,4-dihydro-1,5-, -1,6- and -1,8-naphthyridine derivatives as selective CB2 receptor agonists

  2010cited by this paper
• The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors.

  2010cited by this paper
• CoMFA and CoMSIA analyses on 1,2,3,4-tetrahydropyrrolo[3,4-b]indole and benzimidazole derivatives as selective CB2 receptor agonists

  2010cited by this paper
• Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors: docking-based CoMFA and CoMSIA analyses.

  2009cited by this paper
• Discovery of selective PDE4B inhibitors.

  2009cited by this paper
• Acylthiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors: docking studies and ligand-based CoMFA and CoMSIA analyses

  2009cited by this paper
• MedScape

  2009cited by this paper
• Subtype selectivity in phosphodiesterase 4 (PDE4): a bottleneck in rational drug design.

  2008cited by this paper
• Rolipram: a specific phosphodiesterase 4 inhibitor with potential antipsychotic activity.

  2007cited by this paper
• Biochemistry and physiology of cyclic nucleotide phosphodiesterases: essential components in cyclic nucleotide signaling.

  2007cited by this paper
• Structural insight into substrate specificity of phosphodiesterase 10

  2007cited by this paper
• Differential Expression and Function of Phosphodiesterase 4 (PDE4) Subtypes in Human Primary CD4+ T Cells: Predominant Role of PDE4D1

  2007cited by this paper
• Overview of PDEs and Their Regulation

  2007cited by this paper
• Cyclic nucleotide phosphodiesterase (PDE) superfamily: a new target for the development of specific therapeutic agents.

  2006cited by this paper
• Phosphodiesterase 4 inhibitors for the treatment of asthma and COPD.

  2006cited by this paper
• Cyclic nucleotide phosphodiesterases as targets for treatment of haematological malignancies.

  2006cited by this paper
• Cyclic Nucleotide Phosphodiesterases: Molecular Regulation to Clinical Use

  2006cited by this paper
• Specific Role of Phosphodiesterase 4B in Lipopolysaccharide-Induced Signaling in Mouse Macrophages 1

  2005cited by this paper
• Phosphodiesterase-4 inhibitors for asthma and chronic obstructive pulmonary disease.

  2005cited by this paper
• Keynote review: phosphodiesterase-4 as a therapeutic target.

  2005cited by this paper
• Nonredundant Function of Phosphodiesterases 4D and 4B in Neutrophil Recruitment to the Site of Inflammation1

  2004cited by this paper
• Structural basis for the activity of drugs that inhibit phosphodiesterases.

  2004cited by this paper
• Antidepressant effects of inhibitors of cAMP phosphodiesterase (PDE4).

  2004cited by this paper
• PDE4 cAMP phosphodiesterases: modular enzymes that orchestrate signalling cross-talk, desensitization and compartmentalization.

  2003cited by this paper
• Comparative Molecular Field Analysis (CoMFA)

  2002cited by this paper
• Deletion of phosphodiesterase 4D in mice shortens alpha(2)-adrenoceptor-mediated anesthesia, a behavioral correlate of emesis.

  2002cited by this paper
• PDE4 cAMP-specific phosphodiesterases.

  2001cited by this paper
• UCR1 and UCR2 Domains Unique to the cAMP-specific Phosphodiesterase Family Form a Discrete Module via Electrostatic Interactions*

  2000cited by this paper
• The Protein Data Bank

  2000cited by this paper
• CD3- and CD28-dependent induction of PDE7 required for T cell activation.

  1999cited by this paper
• Cyclic-3',5'-nucleotide phosphodiesterase isozymes in cell biology and pathophysiology of the kidney.

  1999cited by this paper
• Impaired growth and fertility of cAMP-specific phosphodiesterase PDE4D-deficient mice.

  1999cited by this paper
• Scoring noncovalent protein-ligand interactions: A continuous differentiable function tuned to compute binding affinities

  1996cited by this paper
• Characterization of a hormone-inducible, high affinity adenosine 3'-5'-cyclic monophosphate phosphodiesterase from the rat Sertoli cell.

  1995cited by this paper
• Diversity in cyclic nucleotide phosphodiesterase isoenzyme families.

  1995cited by this paper
• Interactions of a G-protein with its effector: transducin and cGMP phosphodiesterase in retinal rods.

  1993cited by this paper
• Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins.

  1988cited by this paper

• Screening inhibitors against the Ef-Tu of Fusobacterium nucleatum: a docking, ADMET and PBPK assessment study

  2024cites this paper
• In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B

  2024cites this paper
• Structural Insights into the lead identification of sub-type selective PDE4B Inhibitors from plant bioactive molecule analogues

  2023cites this paper
• Dopamine D3 receptor ligands: a patent review (2014–2020)

  2022cites this paper
• Molecular docking and simulation studies of a novel labdane type- diterpene from Moluccella aucheri Scheen (Syn. Otostegia aucheri) as human- AChE inhibitor

  2021cites this paper
• Structure-Activity Relationships of Holothuroid’s Triterpene Glycosides and Some In Silico Insights Obtained by Molecular Dynamics Study on the Mechanisms of Their Membranolytic Action

  2021influential citation
• Computer-Aided Design, Synthesis, and Antiviral Evaluation of Novel Acrylamides as Potential Inhibitors of E3-E2-E1 Glycoproteins Complex from Chikungunya Virus

  2020cites this paper
• A novel 3D-QSAR model assisted by coefficient of variation method and its application in FQs’ modification

  2020cites this paper
• Computational Simulations Identify Pyrrolidine-2,3-Dione Derivatives as Novel Inhibitors of Cdk5/p25 Complex to Attenuate Alzheimer’s Pathology

  2019cites this paper
• Conformational Studies of Glucose Transporter 1 (GLUT1) as an Anticancer Drug Target

  2019cites this paper
• Computational Studies and Design of PPARγ and GLUT1 Inhibitors

  2019cites this paper
• Structure-based design and structure-activity relationships of 1,2,3,4-tetrahydroisoquinoline derivatives as potential PDE4 inhibitors.

  2018cites this paper
• Quantitative structure-activity relationship of the thymidylate synthase inhibitors of Mus musculus in the series of quinazolin-4-one and quinazolin-4-imine derivatives.

  2018cites this paper
• Exhaustive CoMFA and CoMSIA analyses around different chemical entities: a ligand-based study exploring the affinity and selectivity profiles of 5-HT1A ligands

  2017cites this paper
• Design, synthesis, and biological evaluation of novel catecholopyrimidine based PDE4 inhibitor for the treatment of atopic dermatitis.

  2017cites this paper
• Phosphodiesterase Inhibitors as a Therapeutic Approach to Neuroprotection and Repair

  2017influential citation
• Relaxant and anti-inflammatory effect of two thalidomide analogs as PDE-4 inhibitors in pregnant rat uterus

  2017cites this paper
• Pharmacophore generation and atom based 3D-QSAR of quinoline derivatives as selective phosphodiesterase 4B inhibitors

  2016cites this paper
• Exhaustive 3D-QSAR analyses as a computational tool to explore the potency and selectivity profiles of thieno[3,2-d]pyrimidin-4(3H)-one derivatives as PDE7 inhibitors

  2016cites this paper
• Computational Study Exploring the Interaction Mechanism of Benzimidazole Derivatives as Potent Cattle Bovine Viral Diarrhea Virus Inhibitors.

  2016cites this paper