Abstract
Phytochemical investigation of Azorella madreporica led to the isolation of four known compounds and an unknown chalcone. The structure of the new compound was identified by spectroscopy, including two-dimensional NMR techniques and comparison with published spectral data. The antioxidant activity of chalcone (compound 1) was measured using the 1,2-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay, and the bioactivity was evaluated against five bacteria (Mycobacterium smegmatis ATCC 14468, clinical isolates of Staphylococcus aureus, Klebsiella granulomatis, Morganella morganii and Escherichia coli) and four cancer cell lines. Docking studies with the tested cancer related proteins revealed nearby values of energy between doxorubicin and compound 1. Besides, protein-ligand interactions correlate with these energy values.
Keywords: Antitumoral, Azorella madreporica, Chalcone, Diterpenes, Docking, Yareta.
Current Topics in Medicinal Chemistry
Title:Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone
Volume: 15 Issue: 17
Author(s): Aurelio San-Martin, Viviana Donoso, Sergio Leiva, Mitchell Bacho, Solange Nunez, Margarita Gutierrez, Juana Rovirosa, Natalia Bailon-Moscoso, Sandra Cuenca Camacho, Omar Malagon Aviles and Maria-Elena Cazar
Affiliation:
Keywords: Antitumoral, Azorella madreporica, Chalcone, Diterpenes, Docking, Yareta.
Abstract: Phytochemical investigation of Azorella madreporica led to the isolation of four known compounds and an unknown chalcone. The structure of the new compound was identified by spectroscopy, including two-dimensional NMR techniques and comparison with published spectral data. The antioxidant activity of chalcone (compound 1) was measured using the 1,2-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay, and the bioactivity was evaluated against five bacteria (Mycobacterium smegmatis ATCC 14468, clinical isolates of Staphylococcus aureus, Klebsiella granulomatis, Morganella morganii and Escherichia coli) and four cancer cell lines. Docking studies with the tested cancer related proteins revealed nearby values of energy between doxorubicin and compound 1. Besides, protein-ligand interactions correlate with these energy values.
Export Options
About this article
Cite this article as:
San-Martin Aurelio, Donoso Viviana, Leiva Sergio, Bacho Mitchell, Nunez Solange, Gutierrez Margarita, Rovirosa Juana, Bailon-Moscoso Natalia, Camacho Cuenca Sandra, Aviles Malagon Omar and Cazar Maria-Elena, Molecular Docking Studies of the Antitumoral Activity and Characterization of New Chalcone, Current Topics in Medicinal Chemistry 2015; 15 (17) . https://dx.doi.org/10.2174/1568026615666150427125033
DOI https://dx.doi.org/10.2174/1568026615666150427125033 |
Print ISSN 1568-0266 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4294 |
Call for Papers in Thematic Issues
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
Current Trends in Drug Discovery Based on Artificial Intelligence and Computer-Aided Drug Design
Drug development discovery has faced several challenges over the years. In fact, the evolution of classical approaches to modern methods using computational methods, or Computer-Aided Drug Design (CADD), has shown promising and essential results in any drug discovery campaign. Among these methods, molecular docking is one of the most notable ...read more
Drug Discovery in the Age of Artificial Intelligence
In the age of artificial intelligence (AI), we have witnessed a significant boom in AI techniques for drug discovery. AI techniques are increasingly integrated and accelerating the drug discovery process. These developments have not only attracted the attention of academia and industry but also raised important questions regarding the selection ...read more
From Biodiversity to Chemical Diversity: Focus of Flavonoids
Flavonoids are the largest group of polyphenols, plant secondary metabolites arising from the essential aromatic amino acid phenylalanine (or more rarely from tyrosine) via the phenylpropanoid pathway. The flavan nucleus is the basic 15-carbon skeleton of flavonoids (C6-C3-C6), which consists of two phenyl rings (A and B) and a heterocyclic ...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
-
Carbonic Anhydrase Based Biomarkers: Potential Application in Human Health and Environmental Sciences
Current Biomarkers (Discontinued) Gene Therapy for Pituitary Tumors
Current Gene Therapy Patent Selections
Recent Patents on Inflammation & Allergy Drug Discovery Systemic Therapies for Pancreatic Cancer - The Role of Pharmacogenetics
Current Drug Targets Regulation of Angiogenesis by the Kallikrein-Kinin System
Current Pharmaceutical Design Comparison of Glucocorticoid Receptor- and Epigenetically Regulated Genes in Proliferating Versus Growth-Arrested Neuro-2a Cells
CNS & Neurological Disorders - Drug Targets Inhibition of Hyaluronan Synthase-3 Decreases Subcutaneous Colon Cancer Growth by Increasing Apoptosis
Anti-Cancer Agents in Medicinal Chemistry Vitamin D Analogs in Cutaneous Malignancies
Current Pharmaceutical Design Meet Our Editorial Board Member
Letters in Drug Design & Discovery The Urokinase Receptor as a Potential Target in Cancer Therapy
Current Pharmaceutical Design Recent Advances in the Development of Anti-Infective Prophylactic and/or Therapeutic Agents Based on Toll-Like Receptor (TLRs)
Recent Patents on Anti-Infective Drug Discovery Amino Acid Degrading Enzymes and their Application in Cancer Therapy
Current Medicinal Chemistry Targeting of Peripherally Expressed Pain-Related Molecules in Injury- Induced Chronic Neuropathic Pain
CNS & Neurological Disorders - Drug Targets In Silico Study and Cytotoxicity of the Synthesized Open-chain Analogues of Antimycin A3 Against HEP-2 Laryngeal Cancer Cells
Current Cancer Therapy Reviews Novel Marine and Microbial Natural Product Inhibitors of Vacuolar ATPase
Current Medicinal Chemistry Flavonoids as Anticancer Agents: Structure-Activity Relationship Study
Current Medicinal Chemistry - Anti-Cancer Agents Melatonin, Autophagy and Intestinal Bowel Disease
Current Pharmaceutical Design Unique Coronary Artery Disease Differences in Women as Related to Revascularization
Current Medicinal Chemistry Progress in Chemo- and Regioselective Transformations of Symmetrical Cephalostatin Analogues
Letters in Organic Chemistry Basic and Clinical Research Against Advanced Glycation End Products (AGEs): New Compounds to Tackle Cardiovascular Disease and Diabetic Complications
Recent Advances in Cardiovascular Drug Discovery (Discontinued)