Abstract
Computer-based analysis revealed that natural products exhibit a remarkable structural diversity of molecular frameworks and scaffolds that could be systematically exploited for combinatorial synthesis. Natural products offer a rich pool of unique molecular frameworks that complement “drug space”. They possess desirable druglike properties rendering them ideal starting points for molecular design considerations. This review provides an overview of chemotype diversity and molecular properties of collections of drugs and druglike molecules, pure natural products, and natural productderived compounds. Compared to druglike molecules, pure natural products contain more oxygen atoms and chiral centers, and have less aromatic atoms on average. Among the natural product library we identified more than one thousand scaffolds that were not contained in any other compound set analyzed. This outcome provides a basis for the design of new natural product-derived compound libraries. Our study demonstrates that computational chemical biology can assist in finding suitable molecular entities in collections of natural products for drug discovery.
Keywords: Natural products, drug discovery, combinatorial chemistry, library design, virtual screening
Current Chemical Biology
Title: Properties and Architecture of Drugs and Natural Products Revisited
Volume: 1 Issue: 1
Author(s): Kristina Grabowski and Gisbert Schneider
Affiliation:
Keywords: Natural products, drug discovery, combinatorial chemistry, library design, virtual screening
Abstract: Computer-based analysis revealed that natural products exhibit a remarkable structural diversity of molecular frameworks and scaffolds that could be systematically exploited for combinatorial synthesis. Natural products offer a rich pool of unique molecular frameworks that complement “drug space”. They possess desirable druglike properties rendering them ideal starting points for molecular design considerations. This review provides an overview of chemotype diversity and molecular properties of collections of drugs and druglike molecules, pure natural products, and natural productderived compounds. Compared to druglike molecules, pure natural products contain more oxygen atoms and chiral centers, and have less aromatic atoms on average. Among the natural product library we identified more than one thousand scaffolds that were not contained in any other compound set analyzed. This outcome provides a basis for the design of new natural product-derived compound libraries. Our study demonstrates that computational chemical biology can assist in finding suitable molecular entities in collections of natural products for drug discovery.
Export Options
About this article
Cite this article as:
Grabowski Kristina and Schneider Gisbert, Properties and Architecture of Drugs and Natural Products Revisited, Current Chemical Biology 2007; 1 (1) . https://dx.doi.org/10.2174/2212796810701010115
DOI https://dx.doi.org/10.2174/2212796810701010115 |
Print ISSN 2212-7968 |
Publisher Name Bentham Science Publisher |
Online ISSN 1872-3136 |
- 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
-
Ligand-Based Peptide Design and Combinatorial Peptide Libraries to Target G Protein-Coupled Receptors
Current Pharmaceutical Design Phenyldihydroxypyrimidines as HCV NS5B RNA Dependent RNA Polymerase Inhibitors. Part II: Sulfonamides
Letters in Drug Design & Discovery siRNA Therapy, Challenges and Underlying Perspectives of Dendrimer as Delivery Vector
Current Pharmaceutical Design Efficacy of Sinopharm Vaccine Among Stem Cell Transplant Recipients During Two Peaks of Delta and Omicron variants of COVID-19
Current Drug Safety A Pan-Cancer Review of <i>ALK</i> Mutations: Implications for Carcinogenesis and Therapy
Current Cancer Drug Targets The Nature of Protein Domain Evolution: Shaping the Interaction Network
Current Genomics Drug Design Targeting the Main Protease, the Achilles Heel of Coronaviruses
Current Pharmaceutical Design Drug in Adhesive Transdermal Formulation of Valsartan and Nifedipine: Pharmacokinetics and Pharmacodynamics in Rats
Current Drug Therapy Recent Advances in Understanding SARS-CoV-2 Infection and Updates on Potential Diagnostic and Therapeutics for COVID-19
Coronaviruses Coumarins as Antioxidants
Current Medicinal Chemistry Bioavailability Enhancement Strategies: Basics, Formulation Approaches and Regulatory Considerations
Current Drug Delivery Self-medication during the Era of COVID-19; Potential Implications for Drug Policy Makers and Pharmacovigilance
Current Drug Safety Exploiting High-Throughput Ion Channel Screening Technologies in Integrated Drug Discovery
Current Pharmaceutical Design Small Molecules as Potent Protein Tyrosine Phosphatase 1B (PTP1B) Inhibitors Documented in Patents from 2009 to 2013
Mini-Reviews in Medicinal Chemistry Preventive and Therapeutic Strategies to Fight COVID-19
Current Pharmaceutical Design One-Pot Green Synthesis of Acridine Alkaloid Derivatives and Screening of in vitro Anti-cancer Activity Against Cdc25b and SHP1
Current Organic Synthesis Quantum Mechanical Methods for Drug Design
Current Topics in Medicinal Chemistry Amantadine Might be Used as a Drug for SARS-Cov-2 Treatment?
Coronaviruses Progress Toward Vector Design for Hematopoietic Stem Cell Gene Therapy
Current Gene Therapy A Novel Synthesis of Multisubstituted Pyrroles via Trisubstituted Olefins and TosMIC Derivatives
Letters in Organic Chemistry