Abstract
Quantitative structure-activity relationships (QSAR) analyses have been attempted on a new set of 4- oxothiazolidines and 5-arylidines derivatives using linear free energy related (LFER) model of Hansch to explain the structural requirements for lipoxygenase inhibition. The QSAR study showed that successful correlation can be achieved for inhibitory activity of 4-oxothiazolidines and 5-arylidines (R > 0.9, Q2 > 0.7). The result of the QSAR study suggests the bulky substituents in the thiazolidine nucleus will decrease the binding affinity of 4-oxothiazolidines derivatives towards lipoxygenase indicated by negative contribution of molar refractivity and connolly accessible area. The positive contribution of topological parameters (BI, MTI, CC and TVC) illustrates that increase in branching and presence of heteroatom are favorable for lipoxygenase inhibitory activity.
Keywords: Quantitative structure-activity relationship, QSAR, lipoxygenase inhibitors, anti-inflammatory, substituted 4-oxathiazolidines, 5-arylidines
Mini-Reviews in Medicinal Chemistry
Title: Quantitative Structure Activity Relationship (QSAR) Analysis of Substituted 4-Oxothiazolidines and 5-Arylidines as Lipoxygenase Inhibitors
Volume: 10 Issue: 8
Author(s): A.N. Choudhary, A. Kumar and V. Juyal
Affiliation:
Keywords: Quantitative structure-activity relationship, QSAR, lipoxygenase inhibitors, anti-inflammatory, substituted 4-oxathiazolidines, 5-arylidines
Abstract: Quantitative structure-activity relationships (QSAR) analyses have been attempted on a new set of 4- oxothiazolidines and 5-arylidines derivatives using linear free energy related (LFER) model of Hansch to explain the structural requirements for lipoxygenase inhibition. The QSAR study showed that successful correlation can be achieved for inhibitory activity of 4-oxothiazolidines and 5-arylidines (R > 0.9, Q2 > 0.7). The result of the QSAR study suggests the bulky substituents in the thiazolidine nucleus will decrease the binding affinity of 4-oxothiazolidines derivatives towards lipoxygenase indicated by negative contribution of molar refractivity and connolly accessible area. The positive contribution of topological parameters (BI, MTI, CC and TVC) illustrates that increase in branching and presence of heteroatom are favorable for lipoxygenase inhibitory activity.
Export Options
About this article
Cite this article as:
Choudhary A.N., Kumar A. and Juyal V., Quantitative Structure Activity Relationship (QSAR) Analysis of Substituted 4-Oxothiazolidines and 5-Arylidines as Lipoxygenase Inhibitors, Mini-Reviews in Medicinal Chemistry 2010; 10 (8) . https://dx.doi.org/10.2174/138955710791572505
DOI https://dx.doi.org/10.2174/138955710791572505 |
Print ISSN 1389-5575 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5607 |
Call for Papers in Thematic Issues
Bioprospecting of Natural Products as Sources of New Multitarget Therapies
According to the Convention on Biological Diversity, bioprospecting is the exploration of biodiversity and indigenous knowledge to develop commercially valuable products for pharmaceutical and other applications. Bioprospecting involves searching for useful organic compounds in plants, fungi, marine organisms, and microorganisms. Natural products traditionally constituted the primary source of more than ...read more
Computational Frontiers in Medicinal Chemistry
The thematic issue "Computational Frontiers in Medicinal Chemistry" provides a robust platform for delving into state-of-the-art computational methodologies and technologies that significantly propel advancements in medicinal chemistry. This edition seeks to amalgamate top-tier reviews spotlighting the latest trends and breakthroughs in the fusion of computational approaches, including artificial intelligence (AI) ...read more
Mitochondria as a Therapeutic Target in Metabolic Disorders
Mitochondria are the primary site of adenosine triphosphate (ATP) production in mammalian cells. Moreover, these organelles are an important source of reactive oxygen and nitrogen species in virtually any nucleated cell type. The modulation of a myriad of cellular signaling pathways depends on the mitochondrial physiology. Mitochondrial dysfunction is observed ...read more
Natural Products and Dietary Supplements in Alleviation of Metabolic, Cardiovascular, and Neurological Disorders
Metabolic disorders like diabetes, obesity, inflammation, oxidative stress, cancer etc, cardiovascular disorders like angina, myocardial infarction, congestive heart failure etc as well as neurological disorders like Alzheimer’s, Parkinson’s, Epilepsy, Depression, etc are the global burden. They covered the major segment of the diseases and disorders from which the human community ...read more
- 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
-
New Insights into HLA-G and Inflammatory Diseases
Inflammation & Allergy - Drug Targets (Discontinued) Inflammation-Induced Thrombosis: Mechanisms, Disease Associations and Management
Current Pharmaceutical Design The Two Faces of Protein Palmitoylation in Islet β-Cell Function: Potential Implications in the Pathophysiology of Islet Metabolic Dysregulation and Diabetes
Recent Patents on Endocrine, Metabolic & Immune Drug Discovery Towards the Design of Social Media to Promote Physical Activity
Recent Advances in Communications and Networking Technology (Discontinued) Gastroenterological Complications of Anderson-Fabry Disease
Current Pharmaceutical Design Immunological Mechanisms of Neuropsychiatric Lupus
Current Immunology Reviews (Discontinued) The Effect of Tumour Necrosis Factor-α on Periodontal Ligament Stem Cell Differentiation and the Related Signaling Pathways
Current Stem Cell Research & Therapy Probiotics and Oral Health
Current Pharmaceutical Design Developmental Expression and Dysregulation of miR-146a and miR-155 in Down's Syndrome and Mouse Models of Down's Syndrome and Alzheimer's Disease
Current Alzheimer Research Meet Our Associate Editor
Current Molecular Medicine Antiangiogenic Therapy
Current Pharmaceutical Design Synthesis of Novel Fused Heterocyclic Compounds from 7-amino-[1,2,4]triazino[3,4- b][1,3,4]thiadiazine-8-carbonitrile
Current Organic Synthesis The Role of Clusterin in Carcinogenesis and its Potential Utility as Therapeutic Target
Current Medicinal Chemistry Influence of Tumor Microenvironment on the Distribution and Elimination of Nano-formulations
Current Drug Metabolism Emerging Breast Cancer Biomarkers
Current Cancer Therapy Reviews The Application of Chitosan and Its Derivatives as Nanosized Carriers for the Delivery of Chemical Drugs and Genes or Proteins
Current Drug Targets Iridoids Analysis by Different Analytical Techniques and its Role as Pharmacologic Agents: A Review
Current Bioactive Compounds Oxidative Stress and Cellular Senescence: The Key Tumor-promoting Factors in Colon Cancer and Beneficial Effects of Polyphenols in Colon Cancer Prevention
Current Cancer Therapy Reviews Thalidomide as an Antiangiogenic Drug in the Treatment of Multiple Myeloma
Letters in Drug Design & Discovery NBS1 Heterozygosity and Cancer Risk
Current Genomics