PMID- 26872481
OWN - NLM
STAT- MEDLINE
DCOM- 20170206
LR  - 20181113
IS  - 1432-1017 (Electronic)
IS  - 0175-7571 (Linking)
VI  - 45
IP  - 5
DP  - 2016 Jul
TI  - TRPV1 channel as a target for cancer therapy using CNT-based drug delivery 
      systems.
PG  - 423-33
LID - 10.1007/s00249-016-1111-8 [doi]
AB  - Carbon nanotubes are being considered for the design of drug delivery systems 
      (DDSs) due to their capacity to internalize molecules and control their release. 
      However, for cellular uptake of drugs, this approach requires an active 
      translocation pathway or a channel to transport the drug into the cell. To 
      address this issue, it is suggested to use TRPV1 ion channels as a potential 
      target for drug release by nano-DDSs since these channels are overexpressed in 
      cancer cells and allow the permeation of large cationic molecules. Considering 
      these facts, this work presents three studies using molecular dynamics 
      simulations of a human TRPV1 (hTRPV1) channel built here. The purpose of these 
      simulations is to study the interaction between a single-wall carbon nanotube 
      (SWCNT) and hTRPV1, and the diffusion of doxorubicin (DOX) across hTRPV1 and 
      across a POPC lipid membrane. The first study shows an attractive potential 
      between the SWCNT surface and hTRPV1, tilting the adsorbed SWCNT. The second 
      study shows low diffusion probability of DOX across the open hTRPV1 due to a high 
      free energy barrier. Although, the potential energy between DOX and hTRPV1 
      reveals an attractive interaction while DOX is inside hTRPV1. These results 
      suggest that if the channel is dilated, then DOX diffusion could occur. The third 
      study shows a lower free energy barrier for DOX across the lipid membrane than 
      for DOX across hTRPV1. Taking into account the results obtained, it is feasible 
      to design novel nano-DDSs based on SWCNTs to accomplish controlled drug release 
      into cells using as translocation pathway, the hTRPV1 ion channel.
FAU - Ortega-Guerrero, Andres
AU  - Ortega-Guerrero A
AD  - School of Electrical and Electronics Engineering, Bionanoelectronics Research 
      Group, Universidad del Valle, Cali, Colombia.
FAU - Espinosa-Duran, John M
AU  - Espinosa-Duran JM
AD  - Department of Chemistry, Center for Theoretical and Computational Nanoscience, 
      Indiana University, Bloomington, IN, USA.
FAU - Velasco-Medina, Jaime
AU  - Velasco-Medina J
AD  - School of Electrical and Electronics Engineering, Bionanoelectronics Research 
      Group, Universidad del Valle, Cali, Colombia. 
      jaime.velasco@correounivalle.edu.co.
LA  - eng
PT  - Journal Article
DEP - 20160213
PL  - Germany
TA  - Eur Biophys J
JT  - European biophysics journal : EBJ
JID - 8409413
RN  - 0 (Antineoplastic Agents)
RN  - 0 (Drug Carriers)
RN  - 0 (Lipid Bilayers)
RN  - 0 (Nanotubes, Carbon)
RN  - 0 (Phosphatidylcholines)
RN  - 0 (TRPV Cation Channels)
RN  - 0 (TRPV1 protein, human)
RN  - 80168379AG (Doxorubicin)
RN  - TE895536Y5 (1-palmitoyl-2-oleoylphosphatidylcholine)
SB  - IM
MH  - Animals
MH  - Antineoplastic Agents/*chemistry/*metabolism
MH  - Cell Membrane/metabolism
MH  - Doxorubicin/chemistry/metabolism
MH  - Drug Carriers/*chemistry
MH  - Humans
MH  - Lipid Bilayers/metabolism
MH  - Molecular Dynamics Simulation
MH  - *Molecular Targeted Therapy
MH  - Nanotubes, Carbon/*chemistry
MH  - Permeability
MH  - Phosphatidylcholines/metabolism
MH  - Protein Conformation
MH  - Rats
MH  - TRPV Cation Channels/*metabolism
OTO - NOTNLM
OT  - Carbon nanotubes
OT  - Doxorubicin
OT  - Drug delivery system
OT  - Molecular dynamics
OT  - TRPV1 channel
EDAT- 2016/02/14 06:00
MHDA- 2017/02/07 06:00
CRDT- 2016/02/14 06:00
PHST- 2015/06/19 00:00 [received]
PHST- 2016/01/05 00:00 [accepted]
PHST- 2015/10/28 00:00 [revised]
PHST- 2016/02/14 06:00 [entrez]
PHST- 2016/02/14 06:00 [pubmed]
PHST- 2017/02/07 06:00 [medline]
AID - 10.1007/s00249-016-1111-8 [pii]
AID - 10.1007/s00249-016-1111-8 [doi]
PST - ppublish
SO  - Eur Biophys J. 2016 Jul;45(5):423-33. doi: 10.1007/s00249-016-1111-8. Epub 2016 
      Feb 13.