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In silicoandin vitrodesign of cordycepin encapsulation in liposomes for colon cancer treatment
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Document Title
In silicoandin vitrodesign of cordycepin encapsulation in liposomes for colon cancer treatment
Author
Khuntawee W.,Amornloetwattana R.,Vongsangnak W.,Namdee K.,Yata T.,Karttunen M.,Wong-Ekkabut J.
Name from Authors Collection
Affiliations
Department of Physics, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand; Computational Biomodelling Laboratory for Agricultural Science and Technology (CBLAST), Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand; Thailand Center of Excellence in Physics (ThEP Center), Ministry of Higher Education, Science, Research and Innovation, Bangkok, 10400, Thailand; Department of Zoology, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand; National Nanotechnology Centre (NANOTEC), National Science and Technology Development Agency, 111 Thailand Science Park, Paholyothin Rd., Klong LuangPathumthani 12120, Thailand; Biochemistry Unit, Department of Physiology, Faculty of Veterinary Science, Chulalongkorn University, Bangkok, 10330, Thailand; Natural Products and Nanoparticles Research Unit, Chulalongkorn University, Bangkok, 10330, Thailand; Department of Chemistry, University of Western Ontario, 1151 Richmond Street, London, Ontario N6A 3K7, Canada; Department of Applied Mathematics, University of Western Ontario, London, ON N6A 5B7, Canada; Center for Advanced Materials and Biomaterials Research, University of Western Ontario, London, ON N6K 3K7, Canada
Type
Article
Source Title
RSC Advances
ISSN
20462069
Year
2021
Volume
11
Issue
15
Open Access
All Open Access, Gold
Publisher
Royal Society of Chemistry
DOI
10.1039/d1ra00038a
Abstract
Cordycepin or 3′-deoxyadenosine is an interesting anti-cancer drug candidate that is found in abundance in the fungusCordyceps militaris. It inhibits cellular growth of many cancers including lung carcinoma, melanoma, bladder cancer, and colon cancer by inducing apoptosis, anti-proliferation, anti-metastasis and by arresting the cell cycle. Cordycepin has, however, poor stability and low solubility in water, resulting in loss of its bioactivity. Liposomes can be used to overcome these obstacles. Our aim is to improve cordycepin's anti-colon cancer activity by liposome encapsulation. Cordycepin-encapsulated liposomes were designed and fabricated based on a combination of theoretical and experimental studies. Molecular dynamics (MD) simulations and free energy calculations suggest that phosphatidylcholine (PC) lipid environment is favorable for cordycepin adsorption. Cordycepin passively permeates into PC lipid bilayers without membrane damage and strongly binds to the lipids' polar groups by flipping its deoxyribose sugar toward the bilayer center. Our fabricated liposomes containing 10 : 1 molar ratio of egg yolk PC : cholesterol showed encapsulation efficiency (%EE) of 99% using microfluidic hydrodynamic focusing (MHF) methods. In ourin vitrostudy using the HT-29 colon cancer cell line, cordycepin was able to inhibit growth by induction of apoptosis. Cell viability was significantly decreased below 50% at 125 μg mL−1dosage after 48 h treatment with non-encapsulated and encapsulated cordycepin. Importantly, encapsulation provided (1) a 2-fold improvement in the inhibition of cancer cell growth at 125 μg mL−1dosage and (2) 4-fold increase in release time. Thesein silicoandin vitrostudies indicate that cordycepin-encapsulated liposomes could be a potent drug candidate for colon cancer therapy. © The Royal Society of Chemistry 2021.
Industrial Classification
Knowledge Taxonomy Level 1
Knowledge Taxonomy Level 2
Knowledge Taxonomy Level 3
Funding Sponsor
Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Thailand Research Fund; Kasetsart University; National Research Council of Thailand
License
CC BY-NC
Rights
Author
Publication Source
Scopus
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In silicoandin vitrodesign of cordycepin encapsulation in liposomes for colon cancer treatmentDownload