Abstract
Computer-aided drug discovery is a growing frontier in science. It covers different sub areas like chemoinformatics and chemogenomics. Chemogenomics is one of the emerging inter-disciplinary approaches in drug discovery, which combines conventional ligand based approach with biological information of drug targets. The main goal of this review is to check effective application of chemogenomics in understanding interactions between all possible ligands and their potential drug targets at molecular level. Recent studies revealed that increased expression of sFRP1an inhibitor of Wnt signalling pathway, seems to be responsible for Elevated Intracellular Pressure (IOP) in glaucoma patients. Glaucoma is a worldwide spread disease. Here, secreted frizzled-related protein-1 (sFRP1) has been used as a target protein. An important role of sFRP1, an antagonist of Wnt signalling pathway, has been found in regulating IOP. Wnt3a ligand protein and a natural compound from marine source Mycaperoxide H - have been used as ligands. In-silico docking of these ligands with sFRP family implies answers to many intricate queries in drug development field. Using above mentioned ligand-protein model in this study, application of chemogenomics has tried to explore the interaction of active site of proteins with the novel ligands. Henceforth, the present review will focus on predictive in-silico chemogenomic approaches with computer aided drug design could be used in drug design domain in identifying new targets in various diseases, in time and cost effective manner.
Keywords: Chemogenomics, sFRP1, drug design, conserved rich domain (CRD), Wnt signalling pathway, docking, Computer-aided drug discovery, Wnt signalling pathway
Current Topics in Medicinal Chemistry
Title:Review on Chemogenomics Approach: Interpreting Antagonist Activity of Secreted Frizzled-Related Protein 1 in Glaucoma Disease with In-Silico Docking
Volume: 12 Issue: 16
Author(s): Kirtan Dave and Hetalkumar Panchal
Affiliation:
Keywords: Chemogenomics, sFRP1, drug design, conserved rich domain (CRD), Wnt signalling pathway, docking, Computer-aided drug discovery, Wnt signalling pathway
Abstract: Computer-aided drug discovery is a growing frontier in science. It covers different sub areas like chemoinformatics and chemogenomics. Chemogenomics is one of the emerging inter-disciplinary approaches in drug discovery, which combines conventional ligand based approach with biological information of drug targets. The main goal of this review is to check effective application of chemogenomics in understanding interactions between all possible ligands and their potential drug targets at molecular level. Recent studies revealed that increased expression of sFRP1an inhibitor of Wnt signalling pathway, seems to be responsible for Elevated Intracellular Pressure (IOP) in glaucoma patients. Glaucoma is a worldwide spread disease. Here, secreted frizzled-related protein-1 (sFRP1) has been used as a target protein. An important role of sFRP1, an antagonist of Wnt signalling pathway, has been found in regulating IOP. Wnt3a ligand protein and a natural compound from marine source Mycaperoxide H - have been used as ligands. In-silico docking of these ligands with sFRP family implies answers to many intricate queries in drug development field. Using above mentioned ligand-protein model in this study, application of chemogenomics has tried to explore the interaction of active site of proteins with the novel ligands. Henceforth, the present review will focus on predictive in-silico chemogenomic approaches with computer aided drug design could be used in drug design domain in identifying new targets in various diseases, in time and cost effective manner.
Export Options
About this article
Cite this article as:
Dave Kirtan and Panchal Hetalkumar, Review on Chemogenomics Approach: Interpreting Antagonist Activity of Secreted Frizzled-Related Protein 1 in Glaucoma Disease with In-Silico Docking, Current Topics in Medicinal Chemistry 2012; 12 (16) . https://dx.doi.org/10.2174/1568026611209061834
DOI https://dx.doi.org/10.2174/1568026611209061834 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
AlphaFold in Medicinal Chemistry: Opportunities and Challenges
AlphaFold, a groundbreaking AI tool for protein structure prediction, is revolutionizing drug discovery. Its near-atomic accuracy unlocks new avenues for designing targeted drugs and performing efficient virtual screening. However, AlphaFold's static predictions lack the dynamic nature of proteins, crucial for understanding drug action. This is especially true for multi-domain proteins, ...read more
Artificial intelligence for Natural Products Discovery and Development
Our approach involves using computational methods to predict the potential therapeutic benefits of natural products by considering factors such as drug structure, targets, and interactions. We also employ multitarget analysis to understand the role of drug targets in disease pathways. We advocate for the use of artificial intelligence in predicting ...read more
Chemistry Based on Natural Products for Therapeutic Purposes
The development of new pharmaceuticals for a wide range of medical conditions has long relied on the identification of promising natural products (NPs). There are over sixty percent of cancer, infectious illness, and CNS disease medications that include an NP pharmacophore, according to the Food and Drug Administration. Since NP ...read more
Chronic Kidney Disease
The scope of the special thematic issue includes but not limited to the mechanism of chronic kidney disease (CKD), the treatment of renal fibrosis and early diagnosis of CKD and so on. We also welcome manuscripts from other scientific research area with respect to internal medicine. Cell death has been ...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
- Announcements
Related Articles
-
Store-Dependent Ca2+ Entry in Endothelial Progenitor Cells As a Perspective Tool to Enhance Cell-Based Therapy and Adverse Tumour Vascularization
Current Medicinal Chemistry Peptide Nucleic Acids (PNA)-DNA Chimeras Targeting Transcription Factors as a Tool to Modify Gene Expression
Current Drug Targets Antimetastatic Activities and Mechanisms of Bisdioxopiperazine Compounds
Anti-Cancer Agents in Medicinal Chemistry Laminin and Collagen IV: Two Polypeptides as Marker of Dystocic Labor
Current Protein & Peptide Science Applications of the Combination of Microwave and Parallel Synthesis in Medicinal Chemistry
Combinatorial Chemistry & High Throughput Screening Bacterial Urease and its Role in Long-Lasting Human Diseases
Current Protein & Peptide Science The Fabrication and Application of Bio-Functional Microspheres
Current Organic Chemistry The Potential Role of Antioxidants in Metabolic Syndrome
Current Pharmaceutical Design Imaging Localised Hydrogen Peroxide Production in Living Systems
Current Chemical Biology Scientific and Clinical Challenges in Sepsis
Current Pharmaceutical Design Peptides Targeting Toll-Like Receptor Signalling Pathways for Novel Immune Therapeutics
Current Pharmaceutical Design Vascular Endothelial Growth Factor (VEGF) Biochemistry and Development of Inhibitory Drugs
Current Drug Therapy Current Drug Design Strategies for Fighting Against Swine Influenza
Current Drug Therapy Novel non-invasive Adjunctive Techniques for Early Oral Cancer Diagnosis and Oral Lesions Examination
Current Pharmaceutical Design Mediterranean Diet, Brain and Muscle: Olive Polyphenols and Resveratrol Protection in Neurodegenerative and Neuromuscular Disorders
Current Medicinal Chemistry Interrelationships Among Gut Microbiota and Host: Paradigms, Role in Neurodegenerative Diseases and Future Prospects
CNS & Neurological Disorders - Drug Targets The Putative Use of Lithium in Alzheimer’s Disease
Current Alzheimer Research Bladder Cancer: A Simple Model Becomes Complex
Current Genomics Commentary: Drugs From Bugs
Current Protein & Peptide Science Cannabinoid Hyperemesis Syndrome
Current Drug Abuse Reviews