Abstract
Relationship between activity and structure of the selected 4-chloro-2-mercapto-5-methylbenzensulfonamide derivatives with their potential anticancer activity was studied. Lipophilicity was determined using two distinct chromatographic methods. Moreover, geometry of studied compounds was optimized with the help of HyperChem software to obtain some molecular descriptors. Reversed-phase and micellar liquid chromatography lipophilicity parameters together with theoretically calculated parameters were used to study the relationship between structure and activity. Principal component analysis performed firstly on activity data and secondly on molecular parameters revealed similar results, which allowed us to divide studied set of compounds into three distinct clusters differing in both structure and activity. Moreover, stepwise regression analysis led to statistically significant equation describing potential anticancer activity of studied derivatives based on nuclear energy and log P (partition coefficient) of compounds.
Keywords: Antitumor agents, 4-Chloro-2-mercapto-5-methylbenzensulfonamide derivatives, Lipophilicity, Principal component analysis (PCA), Quantitative structure-activity relationship (QSAR), Stepwise regression
Medicinal Chemistry
Title:Antitumor Activity of Novel Benzensulfonamide Derivatives in View of their Physiochemical Properties Searched by Principal Component Analysis
Volume: 9 Issue: 4
Author(s): Mariusz Belka, Jaroslaw Slawinski, Lucyna Konieczna, Piotr Kawczak, Tomasz Ciesielski and Tomasz Baczek
Affiliation:
Keywords: Antitumor agents, 4-Chloro-2-mercapto-5-methylbenzensulfonamide derivatives, Lipophilicity, Principal component analysis (PCA), Quantitative structure-activity relationship (QSAR), Stepwise regression
Abstract: Relationship between activity and structure of the selected 4-chloro-2-mercapto-5-methylbenzensulfonamide derivatives with their potential anticancer activity was studied. Lipophilicity was determined using two distinct chromatographic methods. Moreover, geometry of studied compounds was optimized with the help of HyperChem software to obtain some molecular descriptors. Reversed-phase and micellar liquid chromatography lipophilicity parameters together with theoretically calculated parameters were used to study the relationship between structure and activity. Principal component analysis performed firstly on activity data and secondly on molecular parameters revealed similar results, which allowed us to divide studied set of compounds into three distinct clusters differing in both structure and activity. Moreover, stepwise regression analysis led to statistically significant equation describing potential anticancer activity of studied derivatives based on nuclear energy and log P (partition coefficient) of compounds.
Export Options
About this article
Cite this article as:
Belka Mariusz, Slawinski Jaroslaw, Konieczna Lucyna, Kawczak Piotr, Ciesielski Tomasz and Baczek Tomasz, Antitumor Activity of Novel Benzensulfonamide Derivatives in View of their Physiochemical Properties Searched by Principal Component Analysis, Medicinal Chemistry 2013; 9 (4) . https://dx.doi.org/10.2174/1573406411309040005
DOI https://dx.doi.org/10.2174/1573406411309040005 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
- 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
-
Population Diversity and its Relationship with Infectious and Tumor Diseases
Current Immunology Reviews (Discontinued) Cochlear Stem Cells/Progenitors and Degenerative Hearing Disorders
Current Medicinal Chemistry Viral Origins of Human Cancer
Current Medicinal Chemistry Tyrosine Kinase Receptor Transactivation Associated to G Protein-Coupled Receptors
Current Drug Targets Chromatin Structure and Epigenetics of Tumour Cells: A Review
Cardiovascular & Hematological Disorders-Drug Targets The Effects of Insulin and Insulin-Like Growth Factors on Tumor Vascularization: New Insights of Insulin-Like Growth Factor Family in Cancer
Current Medicinal Chemistry Glycogen Synthase Kinase-3 (GSK-3) Inhibitors as a New Lead for Treating Breast and Ovarian Cancer
Current Drug Targets Mechanisms of Neuronal Injury and Death in HIV-1 Associated Dementia
Current HIV Research Oncolytic Adenovirus: Preclinical and Clinical Studies in Patients with Human Malignant Gliomas
Current Gene Therapy Cell Penetrating Peptides for Tumor Targeting
Current Pharmaceutical Biotechnology Molecular Approaches Target to Immunotherapy for HPV-Associated Cancers
Current Cancer Drug Targets Current Status and Perspectives Regarding the Treatment of Osteosarcoma: Chemotherapy
Reviews on Recent Clinical Trials Regulation of Eye Development by Protein Serine/Threonine Phosphatases-1 and -2A
Current Molecular Medicine MicroRNAs: Modulators of Cell Identity, and their Applications in Tissue Engineering
MicroRNA Hsp70 Molecular Chaperones: Emerging Roles in Human Disease and Identification of Small Molecule Modulators
Current Topics in Medicinal Chemistry NK-1 Receptor Antagonists: A New Paradigm in Pharmacological Therapy
Current Medicinal Chemistry Resveratrol, a Phytochemical Inducer of Multiple Cell Death Pathways: Apoptosis, Autophagy and Mitotic Catastrophe
Current Medicinal Chemistry Gap Junctions as Targets for Cancer Chemoprevention and Chemotherapy
Current Drug Targets Natural Products Targeting Cancer Stem Cells: A Revisit
Current Medicinal Chemistry Monoclonal Antibodies Targeting the Epidermal Growth Factor Receptor
Current Drug Targets