Abstract
Background: Oral squamous cell carcinoma (OSCC) is a type of cancer that is responsible for a significant amount of morbidity and mortality worldwide. Researchers are searching for promising therapeutic methods to manage this cancer. In this study, an in silico approach was used to evaluate the activity of sonodynamic therapy (SDT) based on the use of Kojic acid as a sonosensitizer to inhibit matrix metalloprotease-9 (MMP-9) in OSCC.
Materials and Methods: The three-dimensional structure of MMP-9 was predicted and validated by computational approaches. The possible functional role of MMP-9 was determined in terms of Gene Ontology (GO) enrichment analysis. In silico, molecular docking was then performed to evaluate the binding energies of Kojic acid with MMP-9, and ADME parameters and toxicity risks were predicted. The pharmacokinetics and drug-likeness properties of Kojic acid were assessed. Moreover, after the determination of the cytotoxicity effect of Kojic acid-mediated SDT, the change of mmp-9 gene expression was assessed on OSCC cells.
Results: The results of the study showed that Kojic acid could efficiently interact with MMP-9 protein with a strong binding affinity. Kojic acid obeyed Lipinski’s rule of five without violation and exhibited drug-likeness. The cytotoxic effects of Kojic acid and ultrasound waves on the OSCC cells were dose-dependent, and the lowest expression level of the mmp-9 gene was observed in SDT.
Conclusions: Overall, Kojic acid-mediated SDT as an MMP-9 inhibitor can be a promising adjuvant treatment for OSCC. The study highlights the potential of In silico approaches to evaluate therapeutic methods for cancer treatment.
Keywords: Oral squamous cell carcinoma, Kojic acid, matrix metalloprotease, sonodynamic therapy, bioinformatics, mucous membrane.
Current Drug Discovery Technologies
Title:Effects of Kojic Acid-mediated Sonodynamic Therapy as a Matrix Metalloprotease-9 Inhibitor against Oral Squamous Cell Carcinoma: A Bioinformatics Screening and In Vitro Analysis
Volume: 21 Issue: 4
Author(s): Maryam Pourhajibagher*, Mojgan Alaeddini, Shahroo Etemad-Moghadam, Steven Parker and Abbas Bahador*
Affiliation:
- Dental Research Center, Dentistry Research Institute, Tehran University of Medical Sciences, Tehran, Iran
- Dental Research Center, Dentistry Research Institute, Tehran University of Medical Sciences, Tehran, Iran
- Department of Microbiology, School of Medicine, Tehran University of Medical Sciences, Tehran, Iran
- Fellowship in Clinical Laboratory Sciences, BioHealth Lab, Tehran, Iran
Keywords: Oral squamous cell carcinoma, Kojic acid, matrix metalloprotease, sonodynamic therapy, bioinformatics, mucous membrane.
Abstract:
Background: Oral squamous cell carcinoma (OSCC) is a type of cancer that is responsible for a significant amount of morbidity and mortality worldwide. Researchers are searching for promising therapeutic methods to manage this cancer. In this study, an in silico approach was used to evaluate the activity of sonodynamic therapy (SDT) based on the use of Kojic acid as a sonosensitizer to inhibit matrix metalloprotease-9 (MMP-9) in OSCC.
Materials and Methods: The three-dimensional structure of MMP-9 was predicted and validated by computational approaches. The possible functional role of MMP-9 was determined in terms of Gene Ontology (GO) enrichment analysis. In silico, molecular docking was then performed to evaluate the binding energies of Kojic acid with MMP-9, and ADME parameters and toxicity risks were predicted. The pharmacokinetics and drug-likeness properties of Kojic acid were assessed. Moreover, after the determination of the cytotoxicity effect of Kojic acid-mediated SDT, the change of mmp-9 gene expression was assessed on OSCC cells.
Results: The results of the study showed that Kojic acid could efficiently interact with MMP-9 protein with a strong binding affinity. Kojic acid obeyed Lipinski’s rule of five without violation and exhibited drug-likeness. The cytotoxic effects of Kojic acid and ultrasound waves on the OSCC cells were dose-dependent, and the lowest expression level of the mmp-9 gene was observed in SDT.
Conclusions: Overall, Kojic acid-mediated SDT as an MMP-9 inhibitor can be a promising adjuvant treatment for OSCC. The study highlights the potential of In silico approaches to evaluate therapeutic methods for cancer treatment.
Export Options
About this article
Cite this article as:
Pourhajibagher Maryam*, Alaeddini Mojgan, Etemad-Moghadam Shahroo, Parker Steven and Bahador Abbas*, Effects of Kojic Acid-mediated Sonodynamic Therapy as a Matrix Metalloprotease-9 Inhibitor against Oral Squamous Cell Carcinoma: A Bioinformatics Screening and In Vitro Analysis, Current Drug Discovery Technologies 2024; 21 (4) : e011223224137 . https://dx.doi.org/10.2174/0115701638266082231124055825
DOI https://dx.doi.org/10.2174/0115701638266082231124055825 |
Print ISSN 1570-1638 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6220 |
Call for Papers in Thematic Issues
Advancements in Computational Methods for Drug Design
This thematic issue delves into the cutting-edge computational methodologies revolutionizing drug design. Emphasizing the integration of in silico techniques, this collection highlights advancements in some computational methods, as: molecular docking, molecular dynamics, QSAR (Quantitative Structure-Activity Relationship) and free energy calculations. These approaches enhance the efficiency of drug discovery, reduce costs, ...read more
![](/images/wayfinder.jpg)
- 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
-
Vaginitis Due to <i>Pichia fermentans</i> in a Patient Affected by Endometrial
Cancer: A Novel Case Report
Current Women`s Health Reviews PET and SPECT Radiotracers to Assess Function and Expression of ABC Transporters In Vivo
Current Drug Metabolism Chemistry of 2,5-dihydroxyacetophenone, a Key Chromophore in Cellulosic Substrates
Mini-Reviews in Organic Chemistry An “Enigmatic” L-Carnosine (β-Alanyl-L-Histidine)? Cell Proliferative Activity as a Fundamental Property of a Natural Dipeptide Inherent to Traditional Antioxidant, Anti-Aging Biological Activities: Balancing and a Hormonally Correct Agent, Novel Patented Oral Therapy Dosage Formulation for Mobility, Skeletal Muscle Power and Functional Performance, Hypothalamic-Pituitary- Brain Relationship in Health, Aging and Stress Studies
Recent Patents on Drug Delivery & Formulation TLR7/9 Antagonists as Therapeutics for Immune-Mediated Inflammatory Disorders
Inflammation & Allergy - Drug Targets (Discontinued) Evaluation of the Radioprotective Effects of Melatonin Against Ionizing Radiation-Induced Muscle Tissue Injury
Current Radiopharmaceuticals NMDAR PAMs: Multiple Chemotypes for Multiple Binding Sites
Current Topics in Medicinal Chemistry Recent Developments of Coumarin-based Hybrids in Drug Discovery
Current Topics in Medicinal Chemistry Biologically Active Quassinoids and Their Chemistry: Potential Leads for Drug Design
Current Medicinal Chemistry Hit or Miss: The Dilemma of Specimen Selection for Microbiological Diagnosis of Rhino-Orbital-Cerebral- COVID-Associated Mucormycosis (ROCM-CAM)
Infectious Disorders - Drug Targets Medicinal Chemistry of Inhibitors Targeting Resistant Bacteria
Current Topics in Medicinal Chemistry Alternative Medicine as a Treatment Option for COVID-19
Current Traditional Medicine Isatin Derivatives: A Frontier in Antimicrobial Agents
Letters in Organic Chemistry Tobacco Smoke Exposure, Nicotine, and the Embryologic Origins of Asthma
Current Respiratory Medicine Reviews State of the Art Management of Transfusion-Related Acute Lung Injury (TRALI)
Current Pharmaceutical Design 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 Recent Discovery of Peptidomimetics for the Treatment of Coronavirus (COVID-19), Human Coronavirus, and Enteroviruses
Current Medicinal Chemistry NR2B Selective NMDA Receptor Antagonists
Current Pharmaceutical Design Peptides as Therapeutic Agents or Drug Leads for Autoimmune, Hormone Dependent and Cardiovascular Diseases
Anti-Inflammatory & Anti-Allergy Agents in Medicinal Chemistry Soft Antibacterial Agents
Current Medicinal Chemistry