Abstract
The recent pandemic due to SARS-CoV-2, the last isolated human betacoronavirus, has revolutionized modern knowledge of the pathogenesis of viral pneumonia. The lack of specific antiviral drugs and the need to develop adequate research for new antiviral drugs capable of treating this new form of the disease undertook three different research paths quickly. The first one is aimed to test antiviral molecules already present in therapeutic use, with a mechanism of action directed towards viral proteins functional to replication or adsorption; the second one, it is the repositioning of molecules with known pharmacological activity for which various chemistry studies have been prepared in an attempt to find new and specific viral targets; the third, it is the search for molecules of natural origin for which to demonstrate a specific anti-coronavirus activity. Many databases of natural and synthetic substances have been used for the identification of potent inhibitors of various viral targets. The field of computer-aided drug design seems to be promising and useful for the identification of SARS-CoV-2 inhibitors; hence, different structure- and ligand- based computational approaches have been used for their identification. This review analyzes in-depth and critically the most recent publications in the field of applied computational chemistry to find out molecules of natural origin with potent antiviral activity. Furthermore, a critical and functional selection of some molecules with the best hypothetical anti-SARS-CoV-2 activity is made for further studies by biological tests.
Keywords: SARS-CoV-2, computational chemistry, natural compounds inhibitors, natural compounds for covid, cross-fertilization, molecular modeling data.
Current Medicinal Chemistry
Title:Natural Substances in the Fight of SARS-CoV-2: A Critical Evaluation Resulting from the Cross-Fertilization of Molecular Modeling Data with the Pharmacological Aspects
Volume: 28 Issue: 40
Author(s): Davide Gentile, Vincenzo Patamia, Virginia Fuochi, Pio M. Furneri*Antonio Rescifina*
Affiliation:
- Dipartimento di Scienze Biomediche e Biotecnologiche, Università degli Studi di Catania, Catania,Italy
- Dipartimento di Scienze del Farmaco e della Salute, Università degli Studi di Catania, Catania,Italy
Keywords: SARS-CoV-2, computational chemistry, natural compounds inhibitors, natural compounds for covid, cross-fertilization, molecular modeling data.
Abstract: The recent pandemic due to SARS-CoV-2, the last isolated human betacoronavirus, has revolutionized modern knowledge of the pathogenesis of viral pneumonia. The lack of specific antiviral drugs and the need to develop adequate research for new antiviral drugs capable of treating this new form of the disease undertook three different research paths quickly. The first one is aimed to test antiviral molecules already present in therapeutic use, with a mechanism of action directed towards viral proteins functional to replication or adsorption; the second one, it is the repositioning of molecules with known pharmacological activity for which various chemistry studies have been prepared in an attempt to find new and specific viral targets; the third, it is the search for molecules of natural origin for which to demonstrate a specific anti-coronavirus activity. Many databases of natural and synthetic substances have been used for the identification of potent inhibitors of various viral targets. The field of computer-aided drug design seems to be promising and useful for the identification of SARS-CoV-2 inhibitors; hence, different structure- and ligand- based computational approaches have been used for their identification. This review analyzes in-depth and critically the most recent publications in the field of applied computational chemistry to find out molecules of natural origin with potent antiviral activity. Furthermore, a critical and functional selection of some molecules with the best hypothetical anti-SARS-CoV-2 activity is made for further studies by biological tests.
Export Options
About this article
Cite this article as:
Gentile Davide , Patamia Vincenzo , Fuochi Virginia , Furneri M. Pio *, Rescifina Antonio *, Natural Substances in the Fight of SARS-CoV-2: A Critical Evaluation Resulting from the Cross-Fertilization of Molecular Modeling Data with the Pharmacological Aspects, Current Medicinal Chemistry 2021; 28 (40) . https://dx.doi.org/10.2174/0929867328666210614114032
DOI https://dx.doi.org/10.2174/0929867328666210614114032 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
Call for Papers in Thematic Issues
Advances in Medicinal Chemistry: From Cancer to Chronic Diseases.
The broad spectrum of the issue will provide a comprehensive overview of emerging trends, novel therapeutic interventions, and translational insights that impact modern medicine. The primary focus will be diseases of global concern, including cancer, chronic pain, metabolic disorders, and autoimmune conditions, providing a broad overview of the advancements in ...read more
Approaches to the treatment of chronic inflammation
Chronic inflammation is a hallmark of numerous diseases, significantly impacting global health. Although chronic inflammation is a hot topic, not much has been written about approaches to its treatment. This thematic issue aims to showcase the latest advancements in chronic inflammation treatment and foster discussion on future directions in this ...read more
Cellular and Molecular Mechanisms of Non-Infectious Inflammatory Diseases: Focus on Clinical Implications
The Special Issue covers the results of the studies on cellular and molecular mechanisms of non-infectious inflammatory diseases, in particular, autoimmune rheumatic diseases, atherosclerotic cardiovascular disease and other age-related disorders such as type II diabetes, cancer, neurodegenerative disorders, etc. Review and research articles as well as methodology papers that summarize ...read more
Chalcogen-modified nucleic acid analogues
Chalcogen-modified nucleosides, nucleotides and oligonucleotides have been of great interest to scientific research for many years. The replacement of oxygen in the nucleobase, sugar or phosphate backbone by chalcogen atoms (sulfur, selenium, tellurium) gives these biomolecules unique properties resulting from their altered physical and chemical properties. The continuing interest in ...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
-
Polymeric Nanoparticles for Ophthalmic Drug Delivery: An Update on Research and Patenting Activity
Recent Patents on Nanomedicine Decreasing the Metastatic Potential in Cancers - Targeting the Heparan Sulfate Proteoglycans
Current Drug Targets Viral and Cellular Cytokines as Therapeutic Targets in AIDS-Related Lymphoproliferative Disorders
Current Drug Targets - Cardiovascular & Hematological Disorders Hydroximic Acid Derivatives: Pleiotropic Hsp Co-Inducers Restoring Homeostasis and Robustness
Current Pharmaceutical Design Recent Patents Related to Phosphorylation Signaling Pathway on Cancer
Recent Patents on DNA & Gene Sequences Animal Models of Carcinogenesis in Inflamed Colorectum: Potential Use in Chemoprevention Study
Current Drug Targets Allosteric Inhibitors of SHP2: An Updated Patent Review (2015-2020)
Current Medicinal Chemistry Clinical Characteristics and Treatment of Cardiomyopathies in Children
Current Cardiology Reviews Obesity-Driven Inflammation and Colorectal Cancer
Current Medicinal Chemistry Marfan Syndrome and Related Heritable Thoracic Aortic Aneurysms and Dissections
Current Pharmaceutical Design Ribosomal Proteins and Colorectal Cancer
Current Genomics A Systems Biology Road Map for the Discovery of Drugs Targeting Cancer Cell Metabolism
Current Pharmaceutical Design Joint Occurrence of Pain and Sleep Disturbances in People with Dementia. A Systematic Review
Current Alzheimer Research Mechanisms of Neuronal Injury and Death in HIV-1 Associated Dementia
Current HIV Research Current Treatment Options for HCC: From Pharmacokinetics to Efficacy and Adverse Events in Liver Cirrhosis
Current Drug Metabolism Breast Cancer Biomarkers: Risk Assessment, Diagnosis, Prognosis, Prediction of Treatment Efficacy and Toxicity, and Recurrence
Current Pharmaceutical Design Exogenous Hormonal Regulation in Breast Cancer Cells by Phytoestrogens and Endocrine Disruptors
Current Medicinal Chemistry Biosafety Considerations Using Gamma-Retroviral Vectors in Gene Therapy
Current Gene Therapy Development of Mitotane Lipid Nanocarriers and Enantiomers: Two-in-One Solution to Efficiently Treat Adreno-Cortical Carcinoma
Current Medicinal Chemistry Withdrawal Notice: Electrophoresis as a Tool for Early Cancer Diagnosis
Anti-Cancer Agents in Medicinal Chemistry