Abstract
A quantitative structure-activity relationship (QSAR) study has been made on a novel series of pyrrole derivatives acting as lymphocyte-specific kinase (Lck) inhibitors. The Lck inhibition activity of compounds is found to be significantly correlated with their molar volume (MV) and surface tension (ST) and the hydrophobic constant of one of their substituents. Both the molar properties MV and ST of the compounds are found to have the negative effect but the hydrophobic property of R2-substituen is found to have the positive effect. This leads to suggest that the bulky molecules and the those with high surface tension will not be advantageous to the Lck inhibition, rather their R2-substituent with hydrophobic property will be conducive to the activity.
Keywords: Quantitative structure-activity relationship, Lck inhibitors, pyrrole derivatives, lymphocyte-specific kinase, phosphotransferases, homeostasis, RTKs, rheumatoid arthritis, potential immunosuppressive agent, immunosuppressants
Medicinal Chemistry
Title:A QSAR Study on a Series of Pyrrole Derivatives Acting as Lymphocyte- Specific Kinase (Lck) Inhibitors
Volume: 8 Issue: 4
Author(s): Zaihra Anwer and Satya P. Gupta
Affiliation:
Keywords: Quantitative structure-activity relationship, Lck inhibitors, pyrrole derivatives, lymphocyte-specific kinase, phosphotransferases, homeostasis, RTKs, rheumatoid arthritis, potential immunosuppressive agent, immunosuppressants
Abstract: A quantitative structure-activity relationship (QSAR) study has been made on a novel series of pyrrole derivatives acting as lymphocyte-specific kinase (Lck) inhibitors. The Lck inhibition activity of compounds is found to be significantly correlated with their molar volume (MV) and surface tension (ST) and the hydrophobic constant of one of their substituents. Both the molar properties MV and ST of the compounds are found to have the negative effect but the hydrophobic property of R2-substituen is found to have the positive effect. This leads to suggest that the bulky molecules and the those with high surface tension will not be advantageous to the Lck inhibition, rather their R2-substituent with hydrophobic property will be conducive to the activity.
Export Options
About this article
Cite this article as:
Anwer Zaihra and P. Gupta Satya, A QSAR Study on a Series of Pyrrole Derivatives Acting as Lymphocyte- Specific Kinase (Lck) Inhibitors, Medicinal Chemistry 2012; 8 (4) . https://dx.doi.org/10.2174/157340612801216319
DOI https://dx.doi.org/10.2174/157340612801216319 |
Print ISSN 1573-4064 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6638 |
Call for Papers in Thematic Issues
Carbohydrates in Computational and Medicinal Chemistry
Carbohydrates are the most essential organic molecules and are involved in the maintenance of various physiological and metabolic processes in living organisms. Carbohydrate-based compounds have come to the attention of researchers because of their significant contributions to biological functions, such as cell development and cell proliferation, connections between several cells, ...read more
Recent Advances in the Medicinal Chemistry of Cancer
Scope of the Thematic Issue: Correlation between structure and function is one of the important aspects of the success of anti-cancer compounds associated with their structure-activity interactions, physiology, biochemical, molecular, and genetic processes. Overcoming these obstacles is key to obtaining further insights into developments in rational drug design, bioorganic chemistry, ...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
-
Unlocking the Molecular Mechanisms of DNA Repair and Platinum Drug Resistance in Cancer Chemotherapy
Current Drug Therapy Turning Tumor-Promoting Copper into an Anti-Cancer Weapon via High-Throughput Chemistry
Current Medicinal Chemistry Hydroxysteroid Dehydrogenase (17β -HSD3, 17β-HSD5, and 3α-HSD3) Inhibitors:Extragonadal Regulation of Intracellular Sex Steroid Hormone Levels
Recent Patents on Endocrine, Metabolic & Immune Drug Discovery Ubiquitination in Rho Signaling
Current Topics in Medicinal Chemistry The Effects of Caffeine on the Cholinergic System
Mini-Reviews in Medicinal Chemistry Daphnane-Type Diterpene Orthoesters and their Biological Activities
Mini-Reviews in Medicinal Chemistry Anti-Apoptotic Actions of Insulin-Like Growth Factors: Lessons from Development and Implications in Neoplastic Cell Transformation
Current Pharmaceutical Design Mesenchymal Stem Cells for Anti-Cancer Drug Delivery
Recent Patents on Anti-Cancer Drug Discovery PIM1 Kinase as a Target in Prostate Cancer: Roles in Tumorigenesis, Castration Resistance, and Docetaxel Resistance
Current Cancer Drug Targets Beyond Single Pathway Inhibition: MEK Inhibitors as a Platform for the Development of Pharmacological Combinations with Synergistic Anti-Leukemic Effects
Current Pharmaceutical Design Natural Products: A Rich Source of Antiviral Drug Lead Candidates for the Management of COVID-19
Current Pharmaceutical Design Osteonecrosis of the Jaw and Angiogenesis inhibitors: A Revival of a Rare but Serous Side Effect
Current Medicinal Chemistry Cellular Changes, Molecular Pathways and the Immune System Following Photodynamic Treatment
Current Medicinal Chemistry Epithelial-Mesenchymal Plasticity of Breast Cancer Stem Cells: Implications for Metastasis and Therapeutic Resistance
Current Pharmaceutical Design Challenging the Current Approaches to Multiple Myeloma-Related Bone Disease: From Bisphosphonates to Target Therapy
Current Cancer Drug Targets Upregulation of Cytoskeleton Protein and Extracellular Matrix Protein Induced by Stromal-Derived Nitric Oxide Promotes Lung Cancer Invasion and Metastasis
Current Molecular Medicine Defining and Managing Expectations for Early Immunotherapy Cancer Trials
Reviews on Recent Clinical Trials Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors in Non-Small Cell Lung Cancer: A Review of Recent Clinical Trials
Reviews on Recent Clinical Trials Application of Cigarette Smoke Characterisation Based on Optical Aerosol Spectrometry. Dynamics and Comparisons with Tar Values
Current Analytical Chemistry Effect of Recombinant Human Thymosin-α1, an Immuno-Modulating Peptide with 28 Amino Acids, on the Activity of Cytochrome P450s
Drug Metabolism Letters