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Revista Colombiana de Ciencias Químico - Farmacéuticas
Print version ISSN 0034-7418On-line version ISSN 1909-6356
Abstract
MOLLAAMIN, Fatemeh and MONAJJEMI, Majid. Bone therapy through drug delivery of chelated [bisphosphonate-metal ions] adsorbed on the surface of carbon nanotubesTerapia ósea a través de la administración de fármacos tipo quelatos [iones bisfosfonato-metal] adsorbidos en la superficie de nanotubos de carbono. Rev. colomb. cienc. quim. farm. [online]. 2023, vol.52, n.2, pp.741-765. Epub May 01, 2023. ISSN 0034-7418. https://doi.org/10.15446/rcciquifa.v52n2.110734.
Aim
To investigate asingle-walled carbon nanotube (SWCNT) joint to bisphosphonate agents of 5AEL, 5AFX, 4QPF, 3DYG, 2F92, 2I19 chelated to metal cations of Mg2+, Ca2+, Sr2+ due to the direct electron transfer principle which has been studied by density functional theory methods.
Method
It has been accomplished the B3LYP/6-311+G(d,p)/LANL2DZ to estimate the susceptibility of SWCNT for adsorbing 5AEL, 5AFX, 4QPF, 3DYG, 2F92, 2I19 chelated to metal cations of Mg2+, Ca2+, Sr2+ through nuclear magnetic resonance and thermodynamic parameters.
Results
The data explained that the feasibility of using SWCNT and bisphosphonate agents becomes the norm in metal chelating of delivery system, which has been selected through several bisphosphonate agents of 5AEL, 5AFX, 4QPF, 3DYG, 2F92, and 2I19 using DFT method due to physico-chemical properties of NMR and IR methodologies.
Keywords : (5.5) sillón SWCNT; proteína-bifosfonato; quelación de metales.
