Abstract
This review describes topology of the molecule and lipophilicity in that several examples of topological estimation of lipophilicity of the molecule are discussed critically. In doing so, the earlier non-topology methods used to estimate lipophilicity was first discussed critically. Usually, lipophilicity is referred to as partition of organic compound between octanol-water systems, however, some other solvent-systems were also examined topologically. All the proposed models were confirmed by variety of statistical analyses.
Keywords: Lipophilicity, hydrophobicity, topology, topological index, regression analysis, organic-water solubility, curvilinear analysis
Current Computer-Aided Drug Design
Title: The Topology of Molecule and Its Lipophilicity
Volume: 2 Issue: 4
Author(s): Vijay K. Agrawal, Jyoti Singh, Bruno Louis, Shobha Joshi, Ashok Joshi and Padmakar V. Khadikar
Affiliation:
Keywords: Lipophilicity, hydrophobicity, topology, topological index, regression analysis, organic-water solubility, curvilinear analysis
Abstract: This review describes topology of the molecule and lipophilicity in that several examples of topological estimation of lipophilicity of the molecule are discussed critically. In doing so, the earlier non-topology methods used to estimate lipophilicity was first discussed critically. Usually, lipophilicity is referred to as partition of organic compound between octanol-water systems, however, some other solvent-systems were also examined topologically. All the proposed models were confirmed by variety of statistical analyses.
Export Options
About this article
Cite this article as:
Agrawal K. Vijay, Singh Jyoti, Louis Bruno, Joshi Shobha, Joshi Ashok and Khadikar V. Padmakar, The Topology of Molecule and Its Lipophilicity, Current Computer-Aided Drug Design 2006; 2 (4) . https://dx.doi.org/10.2174/157340906778992364
DOI https://dx.doi.org/10.2174/157340906778992364 |
Print ISSN 1573-4099 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6697 |
- 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
-
Investigation of Structural, Treatment, and Clinical Characteristics of
COVID-19 Along with the Challenges Caused by its Prevalence
Infectious Disorders - Drug Targets Postpartum Posterior Reversible Encephalopathy Syndrome in a Patient Suspected to COVID-19
Anti-Infective Agents The Highly Specific Carbohydrate-Binding Protein Cyanovirin-N: Structure, Anti-HIV/Ebola Activity and Possibilities for Therapy
Mini-Reviews in Medicinal Chemistry Herpesvirus Saimiri-Based Gene Delivery Vectors
Current Gene Therapy The Effect of Some Symptoms and Features During the Infection Period on the Level of Anxiety and Depression of Adults after Recovery from COVID-19
Current Psychiatry Research and Reviews Re LPS Biogenetic Pathway: Enzyme Characterisation and Synthetic Efforts Towards Inhibitors
Current Organic Chemistry The Possibilities and Pitfalls for Anti-Complement Therapies in Inflammatory Diseases
Current Drug Targets - Inflammation & Allergy Recent Anticancer Cytotoxic Agents
Current Medicinal Chemistry - Anti-Cancer Agents Preface
Current Pediatric Reviews QSAR Study on MHC Class I A Alleles Based on the Novel Parameters of Amino Acids
Protein & Peptide Letters Synthesis and Anti-Inflammatory Activity of Chalcones and Related Mannich Bases
Medicinal Chemistry Reversine: A Synthetic Purine with a Dual Activity as a Cell Dedifferentiating Agent and a Selective Anticancer Drug
Current Medicinal Chemistry Artificial Intelligence, Big Data and Machine Learning Approaches in Precision Medicine & Drug Discovery
Current Drug Targets Anti-Angiogenic Therapy as a Cancer Treatment Paradigm
Current Medicinal Chemistry - Anti-Cancer Agents Activity Based Chemical Proteomics: Profiling Proteases as Drug Targets
Current Drug Discovery Technologies Immunotherapy for Gastroesophageal Tumors: Is there still Hope for Efficacy?
Current Cancer Drug Targets Comparison of Status Epilepticus Models Induced by Pilocarpine and Nerve Agents - A Systematic Review of the Underlying Aetiology and Adopted Therapeutic Approaches
Current Medicinal Chemistry Recent Developments in the Design of Anti-Depressive Therapies: Targeting the Serotonin Transporter
Current Medicinal Chemistry Competitive Gly/NMDA Receptor Antagonists
Current Topics in Medicinal Chemistry Methylene Blue and Vasoplegia: Who, When, and How?
Mini-Reviews in Medicinal Chemistry