Abstract
Quantitative structure activity relationships were developed for seventeen propenone derivatives reported in the literature that act as dual COX and 5-LOX inhibitors. Predominantly spatial, thermodynamic, topological, and electronic descriptors appear in the models. Docking between these compounds and COX-1, COX-2 and 5-LOX enzymes was also performed and mathematical relationships were developed between the binding energy and activity.
Letters in Organic Chemistry
Title: QSAR and Docking Studies on Propenone Derivatives as Dual COX and 5- LOX Inhibitors
Volume: 5 Issue: 7
Author(s): Ponnurengam M. Sivakumar, Sethu K. Geetha Babu, Vaibhav Sharma and Mukesh Doble
Affiliation:
Keywords: Propenone, NSAID, QSAR, COX -1, COX-2, 5-LOX
Abstract: Quantitative structure activity relationships were developed for seventeen propenone derivatives reported in the literature that act as dual COX and 5-LOX inhibitors. Predominantly spatial, thermodynamic, topological, and electronic descriptors appear in the models. Docking between these compounds and COX-1, COX-2 and 5-LOX enzymes was also performed and mathematical relationships were developed between the binding energy and activity.
Export Options
About this article
Cite this article as:
Sivakumar M. Ponnurengam, Geetha Babu K. Sethu, Sharma Vaibhav and Doble Mukesh, QSAR and Docking Studies on Propenone Derivatives as Dual COX and 5- LOX Inhibitors, Letters in Organic Chemistry 2008; 5 (7) . https://dx.doi.org/10.2174/157017808785982194
DOI https://dx.doi.org/10.2174/157017808785982194 |
Print ISSN 1570-1786 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6255 |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Mapping the Corrosion Behavior of AZ91D Magnesium Alloy: Influence of Chloride Concentration and Potentiostatic Polarization
Innovations in Corrosion and Materials Science (Discontinued) Relevance of Mutations in Tau for Understanding the Tauopathies
Current Medicinal Chemistry - Immunology, Endocrine & Metabolic Agents Limiting Functional Deficiency Following Stroke: Exploiting Different Stem Cell Reservoirs
Current Neuropharmacology The Use of Bifunctional NOP/Mu and NOP Receptor Selective Compounds for the Treatment of Pain, Drug Abuse, and Psychiatric Disorders
Current Pharmaceutical Design Ginkgo Biloba Extract (EGb 761) in Alzheimers Disease: Is there Any Evidence?
Current Alzheimer Research Therapeutic Targets in the Ubiquitin-proteasome System for Alzheimer's Disease
Current Enzyme Inhibition Past, Present, and Future of Targeting Ras for Cancer Therapies
Mini-Reviews in Medicinal Chemistry β-Adrenergic Over-Stimulation and Cardio-Myocyte Apoptosis: Two Receptors, One Organelle, Two Fates?
Current Drug Targets Photopolymerizable Resins for 3D-Printing Solid-Cured Tissue Engineered Implants
Current Drug Targets Mechanistic Insights into Mode of Action of a Potent Natural Antagonist of Orexin Receptor-1 by Means of High Throughput Screening and Molecular Dynamics Simulations
Combinatorial Chemistry & High Throughput Screening Plant Secondary Metabolites- Potent Inhibitors of Monoamine Oxidase Isoforms
Central Nervous System Agents in Medicinal Chemistry Psychiatric/Psychosocial Rehabilitation (PSR) Education: Academic and Professional
Current Psychiatry Reviews Therapeutic Chelators for the Twenty First Century: New Treatments for Iron and Copper Mediated Inflammatory and Neurological Disorders
Current Drug Delivery Adenosine and the Auditory System
Current Neuropharmacology Increasing Testosterone Levels and Effects on Cognitive Functions in Elderly Men and Women: A Review
Current Drug Targets - CNS & Neurological Disorders Discretization of Expression Quantitative Trait Loci in Association Analysis Between Genotypes and Expression Data<sup>§</sup>
Current Bioinformatics Interactions Between Haptic and Visual Perceptions of Fine Surface Texture
Neuroscience and Biomedical Engineering (Discontinued) Editorial [Hot topic: NKT Cell Therapy (Guest Editor: Masashi Emoto)]
Current Immunology Reviews (Discontinued) Advances in Therapies of Cerebellar Disorders: Immune-mediated Ataxias
CNS & Neurological Disorders - Drug Targets Applications of Indan-1,3-Dione in Heterocyclic Synthesis
Current Organic Synthesis