ArticleInternational journal of nanomedicine2021
α-Helical Antimicrobial Peptide Encapsulation and Release from Boron Nitride Nanotubes: A Computational Study.
Article in International journal of nanomedicine, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Theoretical investigation of electrodialysis-driven salt ion transport in pillared graphene membranes.Scientific reports · 2025Article
- Antimicrobial Peptides Therapy: An Emerging Alternative for Treating Drug-Resistant Bacteria.The Yale journal of biology and medicine · 2022Review
- Enzyme-Responsive Amphiphilic Peptide Nanoparticles for Biocompatible and Efficient Drug Delivery.Pharmaceutics · 2022Article
- Dynamics of Antimicrobial Peptide Encapsulation in Carbon Nanotubes: The Role of Hydroxylation.International journal of nanomedicine · 2022Article
- Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT).Molecules (Basel, Switzerland) · 2021Article
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Authors and funding
10 authors.
Funding
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Abstract
introductionAntimicrobial peptides are potential therapeutics as anti-bacteria, anti-viruses, anti-fungi, or anticancers. However, they suffer from a short half-life and drug resistance which limit their long-term clinical usage.
methodsHerein, we captured the encapsulation of antimicrobial peptide HA-FD-13 into boron nitride nanotube (BNNT) (20,20) and its release due to subsequent insertion of BNNT (14,14) with molecular dynamics simulation.
resultsThe peptide-BNNT (20,20) van der Waals (vdW) interaction energy decreased to -270 kcal·mol DISCUSSION: Once the BNNT (14,14) entered into the BNNT (20,20), the peptide was completely released after 83.8 ps. This revealed that the vdW interaction between the BNNT (14,14) and BNNT (20,20) was stronger than between BNNT (20,20) and the peptide; therefore, the BNNT (14,14) could act as a piston pushing the peptide outside the BNNT (20,20). Moreover, the sudden drop in the vdW energy between nanotubes to the value of the -1300 Kcal·mol
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